5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile

C14H11N5 — CID 103468332

IUPAC5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cc1)c1ncc(C#N)cc1N
InChIInChI=1S/C14H11N5/c1-19(12-4-2-10(7-15)3-5-12)14-13(17)6-11(8-16)9-18-14/h2-6,9H,17H2,1H3
InChIKeyCNBPETGBWLWSSL-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.18
Rot. Bonds2

About 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile

5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile (PubChem CID 103468332) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
PubChem CID103468332
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cc1)c1ncc(C#N)cc1N
InChIInChI=1S/C14H11N5/c1-19(12-4-2-10(7-15)3-5-12)14-13(17)6-11(8-16)9-18-14/h2-6,9H,17H2,1H3
InChIKeyCNBPETGBWLWSSL-UHFFFAOYSA-N
XLogP2.18
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 62983158
4-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]benzonitrile
CID 79727609
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
5-chloro-2-N-(4-chlorophenyl)-2-N-methylpyridine-2,3-diamine
CID 67905407
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid;ethane
CID 167448618
4-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]benzonitrile
CID 62981573
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
4-[(5-bromo-3-nitro-2-pyridinyl)-methylamino]benzonitrile
CID 62970404
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
CID 103468814
5-amino-6-(4-cyano-N-methylanilino)pyridine-2-carboxamide
CID 114406485
5-amino-6-(N-amino-4-cyanoanilino)pyridine-3-carboxylic acid
CID 167448619

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile (CID 103468332) is 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile is CN(c1ccc(C#N)cc1)c1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
The InChIKey is CNBPETGBWLWSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-19(12-4-2-10(7-15)3-5-12)14-13(17)6-11(8-16)9-18-14/h2-6,9H,17H2,1H3.
What are the key properties of 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile?
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 103468332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).