3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C155H164FN19O7 — CID 160895706

IUPAC3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCc1ccnc(Cc2cc(C(=O)Nc3ccc(CCN4CCCC4)cc3)ccc2C)n1.COc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2cccc(C)c2)n1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1cc(-c2ccccc2)ccn1.Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CCN5CCCC5)cc4)ccc3F)n2)c1.Cc1cccc(-c2ccnc(Cc3cc4c(c(C(=O)Nc5ccc(CCN6CCCC6)cc5)c3)OCC4)n2)c1
InChIInChI=1S/C33H34N4O2.C32H34N4O2.C32H33N3O.C31H31FN4O.C27H32N4O/c1-23-5-4-6-26(19-23)30-11-14-34-31(36-30)22-25-20-27-13-18-39-32(27)29(21-25)33(38)35-28-9-7-24(8-10-28)12-17-37-15-2-3-16-37;1-23-6-5-7-25(20-23)29-14-16-33-31(35-29)22-27-21-26(10-13-30(27)38-2)32(37)34-28-11-8-24(9-12-28)15-19-36-17-3-4-18-36;1-24-9-12-28(21-29(24)23-31-22-27(15-17-33-31)26-7-3-2-4-8-26)32(36)34-30-13-10-25(11-14-30)16-20-35-18-5-6-19-35;1-22-5-4-6-24(19-22)29-13-15-33-30(35-29)21-26-20-25(9-12-28(26)32)31(37)34-27-10-7-23(8-11-27)14-18-36-16-2-3-17-36;1-3-24-12-14-28-26(29-24)19-23-18-22(9-6-20(23)2)27(32)30-25-10-7-21(8-11-25)13-17-31-15-4-5-16-31/h4-11,14,19-21H,2-3,12-13,15-18,22H2,1H3,(H,35,38);5-14,16,20-21H,3-4,15,17-19,22H2,1-2H3,(H,34,37);2-4,7-15,17,21-22H,5-6,16,18-20,23H2,1H3,(H,34,36);4-13,15,19-20H,2-3,14,16-18,21H2,1H3,(H,34,37);6-12,14,18H,3-5,13,15-17,19H2,1-2H3,(H,30,32)
InChIKeySOVRXMILHDIZFY-UHFFFAOYSA-N
MW2424.14 g/mol
LogP29.25
Rot. Bonds41

About 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide

3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 160895706) has the molecular formula C155H164FN19O7 and a molecular weight of 2424.14 g/mol. Its IUPAC name is 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID160895706
Molecular FormulaC155H164FN19O7
Molecular Weight2424.14 g/mol
Exact Mass2422.30
IUPAC Name3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCc1ccnc(Cc2cc(C(=O)Nc3ccc(CCN4CCCC4)cc3)ccc2C)n1.COc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2cccc(C)c2)n1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1cc(-c2ccccc2)ccn1.Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CCN5CCCC5)cc4)ccc3F)n2)c1.Cc1cccc(-c2ccnc(Cc3cc4c(c(C(=O)Nc5ccc(CCN6CCCC6)cc5)c3)OCC4)n2)c1
InChIInChI=1S/C33H34N4O2.C32H34N4O2.C32H33N3O.C31H31FN4O.C27H32N4O/c1-23-5-4-6-26(19-23)30-11-14-34-31(36-30)22-25-20-27-13-18-39-32(27)29(21-25)33(38)35-28-9-7-24(8-10-28)12-17-37-15-2-3-16-37;1-23-6-5-7-25(20-23)29-14-16-33-31(35-29)22-27-21-26(10-13-30(27)38-2)32(37)34-28-11-8-24(9-12-28)15-19-36-17-3-4-18-36;1-24-9-12-28(21-29(24)23-31-22-27(15-17-33-31)26-7-3-2-4-8-26)32(36)34-30-13-10-25(11-14-30)16-20-35-18-5-6-19-35;1-22-5-4-6-24(19-22)29-13-15-33-30(35-29)21-26-20-25(9-12-28(26)32)31(37)34-27-10-7-23(8-11-27)14-18-36-16-2-3-17-36;1-3-24-12-14-28-26(29-24)19-23-18-22(9-6-20(23)2)27(32)30-25-10-7-21(8-11-25)13-17-31-15-4-5-16-31/h4-11,14,19-21H,2-3,12-13,15-18,22H2,1H3,(H,35,38);5-14,16,20-21H,3-4,15,17-19,22H2,1-2H3,(H,34,37);2-4,7-15,17,21-22H,5-6,16,18-20,23H2,1H3,(H,34,36);4-13,15,19-20H,2-3,14,16-18,21H2,1H3,(H,34,37);6-12,14,18H,3-5,13,15-17,19H2,1-2H3,(H,30,32)
InChIKeySOVRXMILHDIZFY-UHFFFAOYSA-N
XLogP29.25
TPSA296.17 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds41
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002424.14
LogP ≤ 529.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 160895706) is 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CCc1ccnc(Cc2cc(C(=O)Nc3ccc(CCN4CCCC4)cc3)ccc2C)n1.COc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2cccc(C)c2)n1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1cc(-c2ccccc2)ccn1.Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CCN5CCCC5)cc4)ccc3F)n2)c1.Cc1cccc(-c2ccnc(Cc3cc4c(c(C(=O)Nc5ccc(CCN6CCCC6)cc5)c3)OCC4)n2)c1.
What is the InChIKey of 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is SOVRXMILHDIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2.C32H34N4O2.C32H33N3O.C31H31FN4O.C27H32N4O/c1-23-5-4-6-26(19-23)30-11-14-34-31(36-30)22-25-20-27-13-18-39-32(27)29(21-25)33(38)35-28-9-7-24(8-10-28)12-17-37-15-2-3-16-37;1-23-6-5-7-25(20-23)29-14-16-33-31(35-29)22-27-21-26(10-13-30(27)38-2)32(37)34-28-11-8-24(9-12-28)15-19-36-17-3-4-18-36;1-24-9-12-28(21-29(24)23-31-22-27(15-17-33-31)26-7-3-2-4-8-26)32(36)34-30-13-10-25(11-14-30)16-20-35-18-5-6-19-35;1-22-5-4-6-24(19-22)29-13-15-33-30(35-29)21-26-20-25(9-12-28(26)32)31(37)34-27-10-7-23(8-11-27)14-18-36-16-2-3-17-36;1-3-24-12-14-28-26(29-24)19-23-18-22(9-6-20(23)2)27(32)30-25-10-7-21(8-11-25)13-17-31-15-4-5-16-31/h4-11,14,19-21H,2-3,12-13,15-18,22H2,1H3,(H,35,38);5-14,16,20-21H,3-4,15,17-19,22H2,1-2H3,(H,34,37);2-4,7-15,17,21-22H,5-6,16,18-20,23H2,1H3,(H,34,36);4-13,15,19-20H,2-3,14,16-18,21H2,1H3,(H,34,37);6-12,14,18H,3-5,13,15-17,19H2,1-2H3,(H,30,32).
What are the key properties of 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 2424.14 g/mol, XLogP of 29.25, 41 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpyrimidin-2-yl)methyl]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methoxy-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;5-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 160895706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).