N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide

C27H23ClFN5O4 — CID 178028496

IUPACN-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2ccccn2)c2ccc(Cl)cc2)c1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C27H23ClFN5O4/c1-38-15-21(20-13-19(29)14-32-25(20)35)17-9-11-31-23(12-17)33-27(37)24(16-5-7-18(28)8-6-16)34-26(36)22-4-2-3-10-30-22/h2-14,21,24H,15H2,1H3,(H,32,35)(H,34,36)(H,31,33,37)/t21-,24+/m1/s1
InChIKeyMVKJSKGVKKWWBV-QPPBQGQZSA-N
MW535.96 g/mol
LogP3.85
Rot. Bonds9

About N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide

N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 178028496) has the molecular formula C27H23ClFN5O4 and a molecular weight of 535.96 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID178028496
Molecular FormulaC27H23ClFN5O4
Molecular Weight535.96 g/mol
Exact Mass535.14
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2ccccn2)c2ccc(Cl)cc2)c1)c1cc(F)c[nH]c1=O
InChIInChI=1S/C27H23ClFN5O4/c1-38-15-21(20-13-19(29)14-32-25(20)35)17-9-11-31-23(12-17)33-27(37)24(16-5-7-18(28)8-6-16)34-26(36)22-4-2-3-10-30-22/h2-14,21,24H,15H2,1H3,(H,32,35)(H,34,36)(H,31,33,37)/t21-,24+/m1/s1
InChIKeyMVKJSKGVKKWWBV-QPPBQGQZSA-N
XLogP3.85
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.96
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 178028393
N-[(1S)-2-[[4-[(1S)-1-(5,5-difluoro-2-oxo-1,3-diazinan-1-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxo-1-phenylethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 178028328
tert-butyl N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-[[4-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-2-oxoethyl]carbamate
CID 178028471
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 10493507
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
CID 136816281
N-[(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 7044137

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide (CID 178028496) is N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide is COC[C@H](c1ccnc(NC(=O)[C@@H](NC(=O)c2ccccn2)c2ccc(Cl)cc2)c1)c1cc(F)c[nH]c1=O.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is MVKJSKGVKKWWBV-QPPBQGQZSA-N. The full InChI is InChI=1S/C27H23ClFN5O4/c1-38-15-21(20-13-19(29)14-32-25(20)35)17-9-11-31-23(12-17)33-27(37)24(16-5-7-18(28)8-6-16)34-26(36)22-4-2-3-10-30-22/h2-14,21,24H,15H2,1H3,(H,32,35)(H,34,36)(H,31,33,37)/t21-,24+/m1/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide?
N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 535.96 g/mol, XLogP of 3.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-2-[[4-[(1R)-1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyethyl]-2-pyridinyl]amino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 178028496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).