(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide

C15H15N3O3 — CID 40771868

IUPAC(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)NC(C)=C2C#N)cc1
InChIInChI=1S/C15H15N3O3/c1-9-13(8-16)12(7-14(19)17-9)15(20)18-10-3-5-11(21-2)6-4-10/h3-6,12H,7H2,1-2H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyBTGVDZOPTPJIQK-LBPRGKRZSA-N
MW285.30 g/mol
LogP1.57
Rot. Bonds3

About (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide

(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide (PubChem CID 40771868) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
PubChem CID40771868
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)NC(C)=C2C#N)cc1
InChIInChI=1S/C15H15N3O3/c1-9-13(8-16)12(7-14(19)17-9)15(20)18-10-3-5-11(21-2)6-4-10/h3-6,12H,7H2,1-2H3,(H,17,19)(H,18,20)/t12-/m0/s1
InChIKeyBTGVDZOPTPJIQK-LBPRGKRZSA-N
XLogP1.57
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
CID 17079488
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7263389
N-(4-bromophenyl)-2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 3120821
N-(4-bromophenyl)-2-[[(4S)-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1108610
ethyl (4R)-4-[(4-ethoxycarbonylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7447036
2-[(5-cyano-2-oxo-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 3451319
N-(4-chlorophenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 4902647
N-(4-chlorophenyl)-2-[[(4R)-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 1142216
2-[[5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-iodophenyl)acetamide
CID 3710936
(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 28504008
(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7268859

Frequently Asked Questions

What is the IUPAC name of (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide?
The IUPAC name of (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide (CID 40771868) is (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide.
What is the SMILES notation for (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide?
The canonical SMILES for (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)NC(C)=C2C#N)cc1.
What is the InChIKey of (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide?
The InChIKey is BTGVDZOPTPJIQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-13(8-16)12(7-14(19)17-9)15(20)18-10-3-5-11(21-2)6-4-10/h3-6,12H,7H2,1-2H3,(H,17,19)(H,18,20)/t12-/m0/s1.
What are the key properties of (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide?
(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide is sourced from PubChem (CID 40771868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).