4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide

C196H208N20O26 — CID 160634818

IUPAC4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide
SMILESC=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)CC1CC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCC(OC)CC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCCC(O)C1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(N5CCCC5)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C41H46N4O5.C40H44N4O5.C39H41N5O5.C39H41N3O4.C37H36N4O7/c1-8-37(46)42-36-23-27(12-17-34(36)40(49)45-20-18-32(50-7)19-21-45)22-29-24-30(25-44(6)39(29)48)33-10-9-11-35(26(33)2)43-38(47)28-13-15-31(16-14-28)41(3,4)5;1-7-36(46)41-35-21-26(13-18-33(35)39(49)44-19-9-10-31(45)24-44)20-28-22-29(23-43(6)38(28)48)32-11-8-12-34(25(32)2)42-37(47)27-14-16-30(17-15-27)40(3,4)5;1-4-36(45)40-35-23-27(10-15-33(35)39(48)44-18-20-49-21-19-44)22-29-24-30(25-42(3)38(29)47)32-8-7-9-34(26(32)2)41-37(46)28-11-13-31(14-12-28)43-16-5-6-17-43;1-7-36(44)40-34-20-26(13-18-32(34)35(43)21-25-11-12-25)19-28-22-29(23-42(6)38(28)46)31-9-8-10-33(24(31)2)41-37(45)27-14-16-30(17-15-27)39(3,4)5;1-4-34(42)38-31-19-24(8-10-29(31)37(45)41-12-14-46-15-13-41)18-26-20-27(22-40(3)36(26)44)28-6-5-7-30(23(28)2)39-35(43)25-9-11-32-33(21-25)48-17-16-47-32/h8-17,23-25,32H,1,18-22H2,2-7H3,(H,42,46)(H,43,47);7-8,11-18,21-23,31,45H,1,9-10,19-20,24H2,2-6H3,(H,41,46)(H,42,47);4,7-15,23-25H,1,5-6,16-22H2,2-3H3,(H,40,45)(H,41,46);7-10,13-18,20,22-23,25H,1,11-12,19,21H2,2-6H3,(H,40,44)(H,41,45);4-11,19-22H,1,12-18H2,2-3H3,(H,38,42)(H,39,43)
InChIKeyRIKBRLAAVZPMHX-UHFFFAOYSA-N
MW3259.93 g/mol
LogP30.68
Rot. Bonds44

About 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide

4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 160634818) has the molecular formula C196H208N20O26 and a molecular weight of 3259.93 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID160634818
Molecular FormulaC196H208N20O26
Molecular Weight3259.93 g/mol
Exact Mass3257.56
IUPAC Name4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide
SMILESC=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)CC1CC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCC(OC)CC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCCC(O)C1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(N5CCCC5)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C41H46N4O5.C40H44N4O5.C39H41N5O5.C39H41N3O4.C37H36N4O7/c1-8-37(46)42-36-23-27(12-17-34(36)40(49)45-20-18-32(50-7)19-21-45)22-29-24-30(25-44(6)39(29)48)33-10-9-11-35(26(33)2)43-38(47)28-13-15-31(16-14-28)41(3,4)5;1-7-36(46)41-35-21-26(13-18-33(35)39(49)44-19-9-10-31(45)24-44)20-28-22-29(23-43(6)38(28)48)32-11-8-12-34(25(32)2)42-37(47)27-14-16-30(17-15-27)40(3,4)5;1-4-36(45)40-35-23-27(10-15-33(35)39(48)44-18-20-49-21-19-44)22-29-24-30(25-42(3)38(29)47)32-8-7-9-34(26(32)2)41-37(46)28-11-13-31(14-12-28)43-16-5-6-17-43;1-7-36(44)40-34-20-26(13-18-32(34)35(43)21-25-11-12-25)19-28-22-29(23-42(6)38(28)46)31-9-8-10-33(24(31)2)41-37(45)27-14-16-30(17-15-27)39(3,4)5;1-4-34(42)38-31-19-24(8-10-29(31)37(45)41-12-14-46-15-13-41)18-26-20-27(22-40(3)36(26)44)28-6-5-7-30(23(28)2)39-35(43)25-9-11-32-33(21-25)48-17-16-47-32/h8-17,23-25,32H,1,18-22H2,2-7H3,(H,42,46)(H,43,47);7-8,11-18,21-23,31,45H,1,9-10,19-20,24H2,2-6H3,(H,41,46)(H,42,47);4,7-15,23-25H,1,5-6,16-22H2,2-3H3,(H,40,45)(H,41,46);7-10,13-18,20,22-23,25H,1,11-12,19,21H2,2-6H3,(H,40,44)(H,41,45);4-11,19-22H,1,12-18H2,2-3H3,(H,38,42)(H,39,43)
InChIKeyRIKBRLAAVZPMHX-UHFFFAOYSA-N
XLogP30.68
TPSA568.93 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003259.93
LogP ≤ 530.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide (CID 160634818) is 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide is C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)CC1CC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCC(OC)CC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCCC(O)C1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc(N5CCCC5)cc4)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1.C=CC(=O)Nc1cc(Cc2cc(-c3cccc(NC(=O)c4ccc5c(c4)OCCO5)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1.
What is the InChIKey of 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is RIKBRLAAVZPMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N4O5.C40H44N4O5.C39H41N5O5.C39H41N3O4.C37H36N4O7/c1-8-37(46)42-36-23-27(12-17-34(36)40(49)45-20-18-32(50-7)19-21-45)22-29-24-30(25-44(6)39(29)48)33-10-9-11-35(26(33)2)43-38(47)28-13-15-31(16-14-28)41(3,4)5;1-7-36(46)41-35-21-26(13-18-33(35)39(49)44-19-9-10-31(45)24-44)20-28-22-29(23-43(6)38(28)48)32-11-8-12-34(25(32)2)42-37(47)27-14-16-30(17-15-27)40(3,4)5;1-4-36(45)40-35-23-27(10-15-33(35)39(48)44-18-20-49-21-19-44)22-29-24-30(25-42(3)38(29)47)32-8-7-9-34(26(32)2)41-37(46)28-11-13-31(14-12-28)43-16-5-6-17-43;1-7-36(44)40-34-20-26(13-18-32(34)35(43)21-25-11-12-25)19-28-22-29(23-42(6)38(28)46)31-9-8-10-33(24(31)2)41-37(45)27-14-16-30(17-15-27)39(3,4)5;1-4-34(42)38-31-19-24(8-10-29(31)37(45)41-12-14-46-15-13-41)18-26-20-27(22-40(3)36(26)44)28-6-5-7-30(23(28)2)39-35(43)25-9-11-32-33(21-25)48-17-16-47-32/h8-17,23-25,32H,1,18-22H2,2-7H3,(H,42,46)(H,43,47);7-8,11-18,21-23,31,45H,1,9-10,19-20,24H2,2-6H3,(H,41,46)(H,42,47);4,7-15,23-25H,1,5-6,16-22H2,2-3H3,(H,40,45)(H,41,46);7-10,13-18,20,22-23,25H,1,11-12,19,21H2,2-6H3,(H,40,44)(H,41,45);4-11,19-22H,1,12-18H2,2-3H3,(H,38,42)(H,39,43).
What are the key properties of 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide?
4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 3259.93 g/mol, XLogP of 30.68, 44 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[5-[[4-(2-cyclopropylacetyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;4-tert-butyl-N-[3-[5-[[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[2-methyl-3-[1-methyl-5-[[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)phenyl]methyl]-6-oxo-3-pyridinyl]phenyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 160634818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).