4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile

C16H12N4O — CID 70924926

IUPAC4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(N)nc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H12N4O/c17-9-13-14(18)8-15(19)20-16(13)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,(H4,18,19,20)
InChIKeyKUNAYWGBRZJQEB-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.06
Rot. Bonds2

About 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile

4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile (PubChem CID 70924926) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile
PubChem CID70924926
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile
SMILESN#Cc1c(N)cc(N)nc1Oc1ccc2ccccc2c1
InChIInChI=1S/C16H12N4O/c17-9-13-14(18)8-15(19)20-16(13)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,(H4,18,19,20)
InChIKeyKUNAYWGBRZJQEB-UHFFFAOYSA-N
XLogP3.06
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,6-diamino-2-naphthalen-2-yloxypyridine-3-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 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile (CID 70924926) is 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile is N#Cc1c(N)cc(N)nc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile?
The InChIKey is KUNAYWGBRZJQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-9-13-14(18)8-15(19)20-16(13)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,(H4,18,19,20).
What are the key properties of 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile?
4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 70924926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).