4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one

C20H15N5O4 — CID 10452915

IUPAC4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc3nc(=O)[nH]c(N)c23)cc1
InChIInChI=1S/C20H15N5O4/c1-29-14-8-4-11(5-9-14)15-10-16(12-2-6-13(7-3-12)25(27)28)22-19-17(15)18(21)23-20(26)24-19/h2-10H,1H3,(H3,21,22,23,24,26)
InChIKeyWUUWDDINBBFLSN-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.15
Rot. Bonds4

About 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one

4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 10452915) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID10452915
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc3nc(=O)[nH]c(N)c23)cc1
InChIInChI=1S/C20H15N5O4/c1-29-14-8-4-11(5-9-14)15-10-16(12-2-6-13(7-3-12)25(27)28)22-19-17(15)18(21)23-20(26)24-19/h2-10H,1H3,(H3,21,22,23,24,26)
InChIKeyWUUWDDINBBFLSN-UHFFFAOYSA-N
XLogP3.15
TPSA137.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-amino-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-7-(4-nitrophenyl)pyrido[2,3-d]pyrimidine-2-thione
CID 10051659
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
CID 141380203
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
CID 134852700
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one (CID 10452915) is 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one is COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc3nc(=O)[nH]c(N)c23)cc1.
What is the InChIKey of 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is WUUWDDINBBFLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-29-14-8-4-11(5-9-14)15-10-16(12-2-6-13(7-3-12)25(27)28)22-19-17(15)18(21)23-20(26)24-19/h2-10H,1H3,(H3,21,22,23,24,26).
What are the key properties of 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one?
4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 389.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-methoxyphenyl)-7-(4-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 10452915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).