4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one

C14H10N4O3 — CID 5345351

IUPAC4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)nc2[nH]ccc(=O)c12
InChIInChI=1S/C14H10N4O3/c1-8-12-11(19)6-7-15-14(12)17-13(16-8)9-2-4-10(5-3-9)18(20)21/h2-7H,1H3,(H,15,16,17,19)
InChIKeyIETUQWVWKWWLST-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.20
Rot. Bonds2

About 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one

4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 5345351) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID5345351
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)nc2[nH]ccc(=O)c12
InChIInChI=1S/C14H10N4O3/c1-8-12-11(19)6-7-15-14(12)17-13(16-8)9-2-4-10(5-3-9)18(20)21/h2-7H,1H3,(H,15,16,17,19)
InChIKeyIETUQWVWKWWLST-UHFFFAOYSA-N
XLogP2.20
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-Methyl-2-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 5337892
2,4-dimethyl-7-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 5401039
7-Methyl-2-(3-nitro-phenyl)-[1,8]naphthyridin-4-ol
CID 11391873
7-Methyl-2-(4-nitro-phenyl)-[1,8]naphthyridin-4-ol
CID 13155597
7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-nitro-benzylamide
CID 44403649
Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-
CID 780881
4-Methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 5339079
7-isopropyl-4-methyl-2-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 892045
(4-(2-(Ethylamino)-6-methylpyrimidin-4-yl)piperazin-1-yl)(4-nitrophenyl)methanone
CID 122351267
5-Acetyl-4-amino-6-methyl-2-(4-nitrophenyl)pyrimidine
CID 873527
2,4-Diphenyl-8h-pyrido[2,3-d]pyrimidin-5-one
CID 15637069
1-[4-methyl-2-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methylamino]pyrimidin-5-yl]ethanone
CID 97207036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one (CID 5345351) is 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one is Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2[nH]ccc(=O)c12.
What is the InChIKey of 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is IETUQWVWKWWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c1-8-12-11(19)6-7-15-14(12)17-13(16-8)9-2-4-10(5-3-9)18(20)21/h2-7H,1H3,(H,15,16,17,19).
What are the key properties of 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one?
4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 282.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-nitrophenyl)-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 5345351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).