3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile

C13H19N3 — CID 114287606

IUPAC3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)CCC(C)Nc1cnccc1C#N
InChIInChI=1S/C13H19N3/c1-10(2)4-5-11(3)16-13-9-15-7-6-12(13)8-14/h6-7,9-11,16H,4-5H2,1-3H3
InChIKeyINXNLSGAHTUEAG-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.19
Rot. Bonds5

About 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile

3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 114287606) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
PubChem CID114287606
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)CCC(C)Nc1cnccc1C#N
InChIInChI=1S/C13H19N3/c1-10(2)4-5-11(3)16-13-9-15-7-6-12(13)8-14/h6-7,9-11,16H,4-5H2,1-3H3
InChIKeyINXNLSGAHTUEAG-UHFFFAOYSA-N
XLogP3.19
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
CID 130963996
4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
CID 63926910
4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
CID 130810747
N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
2-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 63926299
4-methyl-3-(5-methylhexan-2-ylamino)benzonitrile
CID 63477258
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
3-chloro-4-(5-methylhexan-2-ylamino)benzonitrile
CID 63926297
3-[[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 136534742

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile (CID 114287606) is 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile is CC(C)CCC(C)Nc1cnccc1C#N.
What is the InChIKey of 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is INXNLSGAHTUEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)4-5-11(3)16-13-9-15-7-6-12(13)8-14/h6-7,9-11,16H,4-5H2,1-3H3.
What are the key properties of 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile?
3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 114287606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).