2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one

C12H8N4O — CID 5480241

IUPAC2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESO=c1cc[nH]c2nc(-c3ccncc3)ncc12
InChIInChI=1S/C12H8N4O/c17-10-3-6-14-12-9(10)7-15-11(16-12)8-1-4-13-5-2-8/h1-7H,(H,14,15,16,17)
InChIKeyNLPZOVZQLFXGFB-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.38
Rot. Bonds1

About 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one

2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 5480241) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID5480241
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESO=c1cc[nH]c2nc(-c3ccncc3)ncc12
InChIInChI=1S/C12H8N4O/c17-10-3-6-14-12-9(10)7-15-11(16-12)8-1-4-13-5-2-8/h1-7H,(H,14,15,16,17)
InChIKeyNLPZOVZQLFXGFB-UHFFFAOYSA-N
XLogP1.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 22
CID 5330208
4-Methyl-2-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 5337892
2-Phenyl-1,8-naphthyridin-4-ol
CID 377427
N-benzyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3233704
2-(2-Aminoethylamino)-4-(phenylamino)pyrimidine-5-carboxamide
CID 22958832
3-{[(1R)-1-Phenylethyl]amino}-4-{[2-(pyrimidin-4-ylamino)pyridin-4-yl]amino}cyclobut-3-ene-1,2-dione
CID 44574422
(3-Methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyrimidin-5-yl}methanone
CID 124112199
N-(5-cyclopropyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 129240121
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
CID 129240135
2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 129240165
N-(5-pyridin-2-yl-2-pyridinyl)pyrimidine-5-carboxamide
CID 129240180
N-(biphenyl-4-yl)pyrimidine-5-carboxamide
CID 129255085

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 5480241) is 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one is O=c1cc[nH]c2nc(-c3ccncc3)ncc12.
What is the InChIKey of 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is NLPZOVZQLFXGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c17-10-3-6-14-12-9(10)7-15-11(16-12)8-1-4-13-5-2-8/h1-7H,(H,14,15,16,17).
What are the key properties of 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 224.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 5480241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).