3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile

C10H13N3 — CID 81311804

IUPAC3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
SMILESCc1ccc(CNCCC#N)nc1
InChIInChI=1S/C10H13N3/c1-9-3-4-10(13-7-9)8-12-6-2-5-11/h3-4,7,12H,2,6,8H2,1H3
InChIKeySKHLECJZSKDFSB-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.39
Rot. Bonds4

About 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile

3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile (PubChem CID 81311804) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
PubChem CID81311804
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
SMILESCc1ccc(CNCCC#N)nc1
InChIInChI=1S/C10H13N3/c1-9-3-4-10(13-7-9)8-12-6-2-5-11/h3-4,7,12H,2,6,8H2,1H3
InChIKeySKHLECJZSKDFSB-UHFFFAOYSA-N
XLogP1.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.39
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

Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile (CID 81311804) is 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile is Cc1ccc(CNCCC#N)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile?
The InChIKey is SKHLECJZSKDFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-9-3-4-10(13-7-9)8-12-6-2-5-11/h3-4,7,12H,2,6,8H2,1H3.
What are the key properties of 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile?
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile has a molecular weight of 175.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile is sourced from PubChem (CID 81311804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).