4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile

C8H4N4O — CID 137211979

IUPAC4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile
SMILESN#Cc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C8H4N4O/c9-4-6-11-7-5(8(13)12-6)2-1-3-10-7/h1-3H,(H,10,11,12,13)
InChIKeyWLDMOCUMBKSIOG-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.19
Rot. Bonds

About 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile

4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile (PubChem CID 137211979) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile
PubChem CID137211979
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Name4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile
SMILESN#Cc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C8H4N4O/c9-4-6-11-7-5(8(13)12-6)2-1-3-10-7/h1-3H,(H,10,11,12,13)
InChIKeyWLDMOCUMBKSIOG-UHFFFAOYSA-N
XLogP0.19
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137175854
6-oxo-1,7-dihydropurine-8-carbonitrile
CID 135559145
2-(4-methylpiperazin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137160812
2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136721366
2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899276
2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899320
5H-pyrido[3,2-c][1,5]naphthyridin-6-one
CID 11194941
2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899274
2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899195
2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),2,4,6,8,12,14-heptaen-10-one
CID 23119574
6-oxo-5-phenyl-1H-pyrimidine-2-carbonitrile
CID 13138678
5-ethylquinoline-8-carbonitrile
CID 146709556

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile?
The IUPAC name of 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile (CID 137211979) is 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile is N#Cc1nc2ncccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile?
The InChIKey is WLDMOCUMBKSIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c9-4-6-11-7-5(8(13)12-6)2-1-3-10-7/h1-3H,(H,10,11,12,13).
What are the key properties of 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile?
4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile has a molecular weight of 172.15 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 137211979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).