5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile

C15H16N4 — CID 61076219

IUPAC5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
SMILESCCN(c1cccc(C)c1)c1ncc(N)cc1C#N
InChIInChI=1S/C15H16N4/c1-3-19(14-6-4-5-11(2)7-14)15-12(9-16)8-13(17)10-18-15/h4-8,10H,3,17H2,1-2H3
InChIKeyUFQBYCWHHKCLCZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.00
Rot. Bonds3

About 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile

5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile (PubChem CID 61076219) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
PubChem CID61076219
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
SMILESCCN(c1cccc(C)c1)c1ncc(N)cc1C#N
InChIInChI=1S/C15H16N4/c1-3-19(14-6-4-5-11(2)7-14)15-12(9-16)8-13(17)10-18-15/h4-8,10H,3,17H2,1-2H3
InChIKeyUFQBYCWHHKCLCZ-UHFFFAOYSA-N
XLogP3.00
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
CID 79534994
5-amino-2-[ethyl(2-methylbutyl)amino]pyridine-3-carbonitrile
CID 79477729
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 55010953
5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 63539159
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
5-amino-2-(3-methylphenyl)sulfanylpyridine-3-carbonitrile
CID 61243425
5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 62983158
2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile
CID 102623968

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile (CID 61076219) is 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile is CCN(c1cccc(C)c1)c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile?
The InChIKey is UFQBYCWHHKCLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-19(14-6-4-5-11(2)7-14)15-12(9-16)8-13(17)10-18-15/h4-8,10H,3,17H2,1-2H3.
What are the key properties of 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile?
5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 61076219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).