N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide

C121H111F4N17O16 — CID 158655242

IUPACN-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)n1.Cc1cnc(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(C(=O)Cc2ccccc2)c1.O=C(Cc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1.O=C(Nc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1
InChIInChI=1S/C31H29FN4O5.C31H29FN4O4.C30H27FN4O4.C29H26FN5O3/c1-39-30-10-8-24(27(37)19-21-5-3-2-4-6-21)26(34-30)18-22-7-9-28(25(32)17-22)41-23-11-12-33-29(20-23)35-31(38)36-13-15-40-16-14-36;1-21-15-25(28(37)18-22-5-3-2-4-6-22)27(34-20-21)17-23-7-8-29(26(32)16-23)40-24-9-10-33-30(19-24)35-31(38)36-11-13-39-14-12-36;31-25-17-22(18-26-24(7-4-11-32-26)27(36)19-21-5-2-1-3-6-21)8-9-28(25)39-23-10-12-33-29(20-23)34-30(37)35-13-15-38-16-14-35;30-24-17-20(18-25-23(9-6-13-31-25)28(36)33-21-7-2-1-3-8-21)10-11-26(24)38-22-12-14-32-27(19-22)34-29(37)35-15-4-5-16-35/h2-12,17,20H,13-16,18-19H2,1H3,(H,33,35,38);2-10,15-16,19-20H,11-14,17-18H2,1H3,(H,33,35,38);1-12,17,20H,13-16,18-19H2,(H,33,34,37);1-3,6-14,17,19H,4-5,15-16,18H2,(H,33,36)(H,32,34,37)
InChIKeyICAYHDKGBQRLTH-UHFFFAOYSA-N
MW2135.31 g/mol
LogP22.06
Rot. Bonds32

About N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide

N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide (PubChem CID 158655242) has the molecular formula C121H111F4N17O16 and a molecular weight of 2135.31 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide
PubChem CID158655242
Molecular FormulaC121H111F4N17O16
Molecular Weight2135.31 g/mol
Exact Mass2133.83
IUPAC NameN-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)n1.Cc1cnc(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(C(=O)Cc2ccccc2)c1.O=C(Cc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1.O=C(Nc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1
InChIInChI=1S/C31H29FN4O5.C31H29FN4O4.C30H27FN4O4.C29H26FN5O3/c1-39-30-10-8-24(27(37)19-21-5-3-2-4-6-21)26(34-30)18-22-7-9-28(25(32)17-22)41-23-11-12-33-29(20-23)35-31(38)36-13-15-40-16-14-36;1-21-15-25(28(37)18-22-5-3-2-4-6-22)27(34-20-21)17-23-7-8-29(26(32)16-23)40-24-9-10-33-30(19-24)35-31(38)36-11-13-39-14-12-36;31-25-17-22(18-26-24(7-4-11-32-26)27(36)19-21-5-2-1-3-6-21)8-9-28(25)39-23-10-12-33-29(20-23)34-30(37)35-13-15-38-16-14-35;30-24-17-20(18-25-23(9-6-13-31-25)28(36)33-21-7-2-1-3-8-21)10-11-26(24)38-22-12-14-32-27(19-22)34-29(37)35-15-4-5-16-35/h2-12,17,20H,13-16,18-19H2,1H3,(H,33,35,38);2-10,15-16,19-20H,11-14,17-18H2,1H3,(H,33,35,38);1-12,17,20H,13-16,18-19H2,(H,33,34,37);1-3,6-14,17,19H,4-5,15-16,18H2,(H,33,36)(H,32,34,37)
InChIKeyICAYHDKGBQRLTH-UHFFFAOYSA-N
XLogP22.06
TPSA386.63 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002135.31
LogP ≤ 522.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-[2-(4-fluoroanilino)-6-[[3-(2-fluoropyridine-3-carbonyl)phenoxy]methyl]-4-pyridinyl]-2-pyridinyl]-4-methoxycyclohexane-1-carboxamide
CID 58263731
4-[4-{2-[bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-3-fluoro-N-(2-pyridin-3-yl-ethyl)-benzamide
CID 67385968
N-[5-[1-[4-(1-methylpiperidin-4-yl)anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]-2-pyridinyl]acetamide;8-[3-(2-morpholin-4-ylethoxy)anilino]-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 87192323
[4-(1,1-difluoroethyl)-3-pyridinyl]-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone;bis([(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]piperazine-1-carbonyl]-2-propyl-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone)
CID 91295076
(E)-3-(6-amino-3-pyridinyl)-N-[[7-(4-fluorophenyl)-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 117780043
(E)-3-(6-anilino-3-pyridinyl)-N-[[5-[5-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridinyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 117781228
4-[2-(dimethylamino)ethoxy]-3-[3-[4-oxo-2-[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)phenyl]-4-pyridinyl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-6-yl]prop-2-enoylamino]-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]benzamide
CID 123268220
N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 123289506
N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 123296532
3-(6-amino-3-pyridinyl)-N-[[7-(4-fluorophenyl)-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 123374335
1-[4-[6-ethyl-8,8-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5-oxo-7H-pyrimido[5,4-f][1,4]oxazepin-4-yl]-3-fluorophenyl]-3-[4-[[4-[3-fluoro-4-(pyridin-4-ylcarbamoylamino)phenyl]-6,8-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5-oxo-7H-pyrimido[5,4-f][1,4]oxazepin-8-yl]methyl]-2-pyridinyl]urea
CID 123653674
N-[3-[1-[[2-(tert-butylcarbamoylamino)-3-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-oxopropoxy]methyl]imidazol-4-yl]-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 123874867

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide (CID 158655242) is N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide is COc1ccc(C(=O)Cc2ccccc2)c(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)n1.Cc1cnc(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(C(=O)Cc2ccccc2)c1.O=C(Cc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCOCC3)c2)c(F)c1.O=C(Nc1ccccc1)c1cccnc1Cc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1.
What is the InChIKey of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is ICAYHDKGBQRLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O5.C31H29FN4O4.C30H27FN4O4.C29H26FN5O3/c1-39-30-10-8-24(27(37)19-21-5-3-2-4-6-21)26(34-30)18-22-7-9-28(25(32)17-22)41-23-11-12-33-29(20-23)35-31(38)36-13-15-40-16-14-36;1-21-15-25(28(37)18-22-5-3-2-4-6-22)27(34-20-21)17-23-7-8-29(26(32)16-23)40-24-9-10-33-30(19-24)35-31(38)36-11-13-39-14-12-36;31-25-17-22(18-26-24(7-4-11-32-26)27(36)19-21-5-2-1-3-6-21)8-9-28(25)39-23-10-12-33-29(20-23)34-30(37)35-13-15-38-16-14-35;30-24-17-20(18-25-23(9-6-13-31-25)28(36)33-21-7-2-1-3-8-21)10-11-26(24)38-22-12-14-32-27(19-22)34-29(37)35-15-4-5-16-35/h2-12,17,20H,13-16,18-19H2,1H3,(H,33,35,38);2-10,15-16,19-20H,11-14,17-18H2,1H3,(H,33,35,38);1-12,17,20H,13-16,18-19H2,(H,33,34,37);1-3,6-14,17,19H,4-5,15-16,18H2,(H,33,36)(H,32,34,37).
What are the key properties of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide?
N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 2135.31 g/mol, XLogP of 22.06, 32 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[5-methyl-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;N-[4-[2-fluoro-4-[[3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide;2-[[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]methyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 158655242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).