(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

C19H22N6O3 — CID 28504008

IUPAC(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1
InChIInChI=1S/C19H22N6O3/c1-28-12-6-4-11(5-7-12)21-18(27)13-10-14(26)22-17-15(13)16(20)23-19(24-17)25-8-2-3-9-25/h4-7,13H,2-3,8-10H2,1H3,(H,21,27)(H3,20,22,23,24,26)/t13-/m0/s1
InChIKeyLNMUYZAQGFJXPF-ZDUSSCGKSA-N
MW382.42 g/mol
LogP1.73
Rot. Bonds4

About (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide

(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 28504008) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID28504008
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1
InChIInChI=1S/C19H22N6O3/c1-28-12-6-4-11(5-7-12)21-18(27)13-10-14(26)22-17-15(13)16(20)23-19(24-17)25-8-2-3-9-25/h4-7,13H,2-3,8-10H2,1H3,(H,21,27)(H3,20,22,23,24,26)/t13-/m0/s1
InChIKeyLNMUYZAQGFJXPF-ZDUSSCGKSA-N
XLogP1.73
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

(5R)-N-(4-acetamidophenyl)-4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29110054
4-amino-7-oxo-N-(4-phenoxyphenyl)-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228936
(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102418
dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 17036181
(5R)-4-amino-N-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29158723
4-amino-N-(3-chloro-4-methylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653385
(5R)-4-amino-N-(3-chloro-4-methylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29110099
4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43853924
4-amino-N-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653386
(5R)-4-amino-N-(3-fluorophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 28504026
4-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43854375
4-amino-N-(2,5-dimethylphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 43854398

Frequently Asked Questions

What is the IUPAC name of (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (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) is (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1.
What is the InChIKey of (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LNMUYZAQGFJXPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-28-12-6-4-11(5-7-12)21-18(27)13-10-14(26)22-17-15(13)16(20)23-19(24-17)25-8-2-3-9-25/h4-7,13H,2-3,8-10H2,1H3,(H,21,27)(H3,20,22,23,24,26)/t13-/m0/s1.
What are the key properties of (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-amino-N-(4-methoxyphenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 28504008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).