2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile

C14H22N4 — CID 113285623

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H22N4/c1-10(2)13(16)7-8-18(4)14-12(9-15)6-5-11(3)17-14/h5-6,10,13H,7-8,16H2,1-4H3
InChIKeyXOLYYJRGSLGCNM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.07
Rot. Bonds5

About 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile

2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile (PubChem CID 113285623) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile
PubChem CID113285623
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H22N4/c1-10(2)13(16)7-8-18(4)14-12(9-15)6-5-11(3)17-14/h5-6,10,13H,7-8,16H2,1-4H3
InChIKeyXOLYYJRGSLGCNM-UHFFFAOYSA-N
XLogP2.07
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(methyl)amino]-6-methylpyridine-3-carbonitrile
CID 62688655
1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 115318155
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
4-[(3-amino-4-methylpentyl)-methylamino]-2-chlorobenzonitrile
CID 113285627
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136979021
5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 113285589
2-[3-hydroxybutyl(methyl)amino]quinoline-3-carbonitrile
CID 115681062
1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
CID 106553574
6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile
CID 79120279
1-N,4-dimethyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pentane-1,3-diamine
CID 139013756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile (CID 113285623) is 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N(C)CCC(N)C(C)C)n1.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile?
The InChIKey is XOLYYJRGSLGCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)13(16)7-8-18(4)14-12(9-15)6-5-11(3)17-14/h5-6,10,13H,7-8,16H2,1-4H3.
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile?
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 113285623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).