2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile

C10H7N3O — CID 142656814

IUPAC2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCc1cc(=O)n2cc(C#N)ccc2n1
InChIInChI=1S/C10H7N3O/c1-7-4-10(14)13-6-8(5-11)2-3-9(13)12-7/h2-4,6H,1H3
InChIKeyBRSQCIDAAQHBTO-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.87
Rot. Bonds

About 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile

2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile (PubChem CID 142656814) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
PubChem CID142656814
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCc1cc(=O)n2cc(C#N)ccc2n1
InChIInChI=1S/C10H7N3O/c1-7-4-10(14)13-6-8(5-11)2-3-9(13)12-7/h2-4,6H,1H3
InChIKeyBRSQCIDAAQHBTO-UHFFFAOYSA-N
XLogP0.87
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 144970394
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 150974917
3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 167775457
2-methyl-7-thiophen-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 142656816
2,3-dibromoimidazo[1,2-a]pyridine-6-carbonitrile
CID 126524032
11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile
CID 13052297
1,3-dimethylimidazo[1,5-a]pyridine-6-carbonitrile
CID 130067723
2,5-dimethylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060852
2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 130201657
4-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]-3-methylbenzonitrile
CID 114481389
3-(1-benzofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392546
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The IUPAC name of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile (CID 142656814) is 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The canonical SMILES for 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile is Cc1cc(=O)n2cc(C#N)ccc2n1.
What is the InChIKey of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The InChIKey is BRSQCIDAAQHBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-7-4-10(14)13-6-8(5-11)2-3-9(13)12-7/h2-4,6H,1H3.
What are the key properties of 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile is sourced from PubChem (CID 142656814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).