2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile

C16H24N4 — CID 115306682

IUPAC2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCCNC2CCCCCC2)c1C#N
InChIInChI=1S/C16H24N4/c1-13-8-9-19-16(15(13)12-17)20-11-10-18-14-6-4-2-3-5-7-14/h8-9,14,18H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyYZUVMPBPJZPJNA-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile

2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile (PubChem CID 115306682) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
PubChem CID115306682
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1ccnc(NCCNC2CCCCCC2)c1C#N
InChIInChI=1S/C16H24N4/c1-13-8-9-19-16(15(13)12-17)20-11-10-18-14-6-4-2-3-5-7-14/h8-9,14,18H,2-7,10-11H2,1H3,(H,19,20)
InChIKeyYZUVMPBPJZPJNA-UHFFFAOYSA-N
XLogP2.99
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
CID 103269649
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
3-[2-(cycloheptylamino)ethylamino]pyridine-2-carbonitrile
CID 115306698

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile (CID 115306682) is 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile is Cc1ccnc(NCCNC2CCCCCC2)c1C#N.
What is the InChIKey of 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile?
The InChIKey is YZUVMPBPJZPJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13-8-9-19-16(15(13)12-17)20-11-10-18-14-6-4-2-3-5-7-14/h8-9,14,18H,2-7,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile?
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 115306682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).