3-[(6-methyl-2-pyridinyl)amino]propanenitrile

C9H11N3 — CID 130918867

IUPAC3-[(6-methyl-2-pyridinyl)amino]propanenitrile
SMILESCc1cccc(NCCC#N)n1
InChIInChI=1S/C9H11N3/c1-8-4-2-5-9(12-8)11-7-3-6-10/h2,4-5H,3,7H2,1H3,(H,11,12)
InChIKeyKHTHIXLFJVCLNL-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.72
Rot. Bonds3

About 3-[(6-methyl-2-pyridinyl)amino]propanenitrile

3-[(6-methyl-2-pyridinyl)amino]propanenitrile (PubChem CID 130918867) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)amino]propanenitrile
PubChem CID130918867
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-[(6-methyl-2-pyridinyl)amino]propanenitrile
SMILESCc1cccc(NCCC#N)n1
InChIInChI=1S/C9H11N3/c1-8-4-2-5-9(12-8)11-7-3-6-10/h2,4-5H,3,7H2,1H3,(H,11,12)
InChIKeyKHTHIXLFJVCLNL-UHFFFAOYSA-N
XLogP1.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-cyano-2-pyridinyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133392288
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222
3-(pyridin-2-ylamino)propanenitrile;hydrochloride
CID 139578245
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
N-iodo-6-methylpyridin-2-amine
CID 134375052
1-[2-[(6-methyl-2-pyridinyl)amino]ethylamino]propan-2-ol
CID 104594292
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392
3-[(6-ethylpyridazin-3-yl)amino]propanenitrile
CID 116971907

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile (CID 130918867) is 3-[(6-methyl-2-pyridinyl)amino]propanenitrile.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)amino]propanenitrile is Cc1cccc(NCCC#N)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
The InChIKey is KHTHIXLFJVCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-8-4-2-5-9(12-8)11-7-3-6-10/h2,4-5H,3,7H2,1H3,(H,11,12).
What are the key properties of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
3-[(6-methyl-2-pyridinyl)amino]propanenitrile has a molecular weight of 161.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)amino]propanenitrile is sourced from PubChem (CID 130918867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).