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

C14H22N4 — CID 114770229

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H22N4/c1-10(2)13(16)5-6-18(4)14-8-12(9-15)7-11(3)17-14/h7-8,10,13H,5-6,16H2,1-4H3
InChIKeyGQHSRQAAXJNJQF-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.07
Rot. Bonds5

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

2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114770229) 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-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114770229
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C14H22N4/c1-10(2)13(16)5-6-18(4)14-8-12(9-15)7-11(3)17-14/h7-8,10,13H,5-6,16H2,1-4H3
InChIKeyGQHSRQAAXJNJQF-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-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
CID 114766295
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737
1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 115318155
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile
CID 113285623
2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136979021
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889
2-methyl-6-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114766459
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
2-methyl-6-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 114766314

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile (CID 114770229) is 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N(C)CCC(N)C(C)C)n1.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is GQHSRQAAXJNJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)13(16)5-6-18(4)14-8-12(9-15)7-11(3)17-14/h7-8,10,13H,5-6,16H2,1-4H3.
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile?
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-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-4-carbonitrile is sourced from PubChem (CID 114770229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).