2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile

C13H19N3 — CID 114765995

IUPAC2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
SMILESCCC(Nc1cc(C#N)cc(C)n1)C(C)C
InChIInChI=1S/C13H19N3/c1-5-12(9(2)3)16-13-7-11(8-14)6-10(4)15-13/h6-7,9,12H,5H2,1-4H3,(H,15,16)
InChIKeyFLCHPQUPQUFKMC-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.11
Rot. Bonds4

About 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile

2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile (PubChem CID 114765995) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
PubChem CID114765995
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
SMILESCCC(Nc1cc(C#N)cc(C)n1)C(C)C
InChIInChI=1S/C13H19N3/c1-5-12(9(2)3)16-13-7-11(8-14)6-10(4)15-13/h6-7,9,12H,5H2,1-4H3,(H,15,16)
InChIKeyFLCHPQUPQUFKMC-UHFFFAOYSA-N
XLogP3.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770092
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114770189
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648
3-methyl-4-(2-methylpentan-3-ylamino)benzonitrile
CID 61472529
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114766584
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
CID 103461768
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile (CID 114765995) is 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile is CCC(Nc1cc(C#N)cc(C)n1)C(C)C.
What is the InChIKey of 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile?
The InChIKey is FLCHPQUPQUFKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-12(9(2)3)16-13-7-11(8-14)6-10(4)15-13/h6-7,9,12H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile?
2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114765995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).