3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile

C15H12N4O — CID 104848705

IUPAC3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
SMILESCOc1cc(C#N)ccc1NCc1cccnc1C#N
InChIInChI=1S/C15H12N4O/c1-20-15-7-11(8-16)4-5-13(15)19-10-12-3-2-6-18-14(12)9-17/h2-7,19H,10H2,1H3
InChIKeyZXKCZHVYPGYVGG-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.45
Rot. Bonds4

About 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile

3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile (PubChem CID 104848705) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
PubChem CID104848705
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
SMILESCOc1cc(C#N)ccc1NCc1cccnc1C#N
InChIInChI=1S/C15H12N4O/c1-20-15-7-11(8-16)4-5-13(15)19-10-12-3-2-6-18-14(12)9-17/h2-7,19H,10H2,1H3
InChIKeyZXKCZHVYPGYVGG-UHFFFAOYSA-N
XLogP2.45
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843617
4-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848307
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
4-[(3-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843630
4-[(2-cyano-5-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 104843704
4-[(2-bromo-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 104848301
4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-methoxybenzonitrile
CID 104848143
3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 55128109
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 104843645

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile (CID 104848705) is 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile is COc1cc(C#N)ccc1NCc1cccnc1C#N.
What is the InChIKey of 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is ZXKCZHVYPGYVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-15-7-11(8-16)4-5-13(15)19-10-12-3-2-6-18-14(12)9-17/h2-7,19H,10H2,1H3.
What are the key properties of 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile?
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 104848705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).