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

C18H20N6O2 — CID 29102418

IUPAC(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1)CC(=O)N2
InChIInChI=1S/C18H20N6O2/c19-15-14-12(17(26)20-11-6-2-1-3-7-11)10-13(25)21-16(14)23-18(22-15)24-8-4-5-9-24/h1-3,6-7,12H,4-5,8-10H2,(H,20,26)(H3,19,21,22,23,25)/t12-/m0/s1
InChIKeyCPPJCULIPIBTKN-LBPRGKRZSA-N
MW352.40 g/mol
LogP1.72
Rot. Bonds3

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

(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 29102418) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID29102418
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1)CC(=O)N2
InChIInChI=1S/C18H20N6O2/c19-15-14-12(17(26)20-11-6-2-1-3-7-11)10-13(25)21-16(14)23-18(22-15)24-8-4-5-9-24/h1-3,6-7,12H,4-5,8-10H2,(H,20,26)(H3,19,21,22,23,25)/t12-/m0/s1
InChIKeyCPPJCULIPIBTKN-LBPRGKRZSA-N
XLogP1.72
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-7-oxo-N-(4-phenoxyphenyl)-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228936
(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
(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
(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
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-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17036199
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-(3,5-dimethylphenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29158723
(5R)-4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102337
4-amino-N-benzyl-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 17228947
(5S)-4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29110091
4-amino-7-oxo-2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653383

Frequently Asked Questions

What is the IUPAC name of (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 29102418) is (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccccc1)CC(=O)N2.
What is the InChIKey of (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CPPJCULIPIBTKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N6O2/c19-15-14-12(17(26)20-11-6-2-1-3-7-11)10-13(25)21-16(14)23-18(22-15)24-8-4-5-9-24/h1-3,6-7,12H,4-5,8-10H2,(H,20,26)(H3,19,21,22,23,25)/t12-/m0/s1.
What are the key properties of (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
(5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-amino-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 29102418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).