3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile

C18H14N8O — CID 175536183

IUPAC3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1NC=C1C=NCC1
InChIInChI=1S/C18H14N8O/c19-6-15-14(21-8-11-3-4-20-7-11)5-12(9-22-15)24-18-23-10-16-13(26-18)1-2-17(27)25-16/h1-2,5,7-10,21H,3-4H2,(H,25,27)(H,23,24,26)
InChIKeyRGUYTMMWJNSZIC-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.10
Rot. Bonds4

About 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile

3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 175536183) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile
PubChem CID175536183
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1NC=C1C=NCC1
InChIInChI=1S/C18H14N8O/c19-6-15-14(21-8-11-3-4-20-7-11)5-12(9-22-15)24-18-23-10-16-13(26-18)1-2-17(27)25-16/h1-2,5,7-10,21H,3-4H2,(H,25,27)(H,23,24,26)
InChIKeyRGUYTMMWJNSZIC-UHFFFAOYSA-N
XLogP2.10
TPSA131.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile (CID 175536183) is 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile is N#Cc1ncc(Nc2ncc3[nH]c(=O)ccc3n2)cc1NC=C1C=NCC1.
What is the InChIKey of 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is RGUYTMMWJNSZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O/c19-6-15-14(21-8-11-3-4-20-7-11)5-12(9-22-15)24-18-23-10-16-13(26-18)1-2-17(27)25-16/h1-2,5,7-10,21H,3-4H2,(H,25,27)(H,23,24,26).
What are the key properties of 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile?
3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 358.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyrrol-4-ylidenemethylamino)-5-[(6-oxo-5H-pyrido[3,2-d]pyrimidin-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 175536183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).