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

C18H19N7O4 — CID 17036199

IUPAC4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCC2)nc2c1C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2
InChIInChI=1S/C18H19N7O4/c19-15-14-12(17(27)20-10-4-3-5-11(8-10)25(28)29)9-13(26)21-16(14)23-18(22-15)24-6-1-2-7-24/h3-5,8,12H,1-2,6-7,9H2,(H,20,27)(H3,19,21,22,23,26)
InChIKeyHDBJQVDTWRYGEF-UHFFFAOYSA-N
MW397.40 g/mol
LogP1.63
Rot. Bonds4

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

4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 17036199) has the molecular formula C18H19N7O4 and a molecular weight of 397.40 g/mol. Its IUPAC name is 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID17036199
Molecular FormulaC18H19N7O4
Molecular Weight397.40 g/mol
Exact Mass397.15
IUPAC Name4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
SMILESNc1nc(N2CCCC2)nc2c1C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2
InChIInChI=1S/C18H19N7O4/c19-15-14-12(17(27)20-10-4-3-5-11(8-10)25(28)29)9-13(26)21-16(14)23-18(22-15)24-6-1-2-7-24/h3-5,8,12H,1-2,6-7,9H2,(H,20,27)(H3,19,21,22,23,26)
InChIKeyHDBJQVDTWRYGEF-UHFFFAOYSA-N
XLogP1.63
TPSA156.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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-7-oxo-N-phenyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102418
(5S)-N-(3-nitrophenyl)-4,7-dioxo-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135882068
(5S)-4-amino-2-morpholin-4-yl-N-(4-nitrophenyl)-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 29102362
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
(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-(3,5-dichlorophenyl)-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 16653386
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
(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
(5R)-4-amino-N-(4-methyl-3-nitrophenyl)-2-morpholin-4-yl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 28503982
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide (CID 17036199) is 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is Nc1nc(N2CCCC2)nc2c1C(C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2.
What is the InChIKey of 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HDBJQVDTWRYGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O4/c19-15-14-12(17(27)20-10-4-3-5-11(8-10)25(28)29)9-13(26)21-16(14)23-18(22-15)24-6-1-2-7-24/h3-5,8,12H,1-2,6-7,9H2,(H,20,27)(H3,19,21,22,23,26).
What are the key properties of 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide?
4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-nitrophenyl)-7-oxo-2-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 17036199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).