2-(methylamino)-2-pyridin-3-ylacetonitrile

C8H9N3 — CID 43115040

IUPAC2-(methylamino)-2-pyridin-3-ylacetonitrile
SMILESCNC(C#N)c1cccnc1
InChIInChI=1S/C8H9N3/c1-10-8(5-9)7-3-2-4-11-6-7/h2-4,6,8,10H,1H3
InChIKeyUEQHSGYUGIQBDY-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.87
Rot. Bonds2

About 2-(methylamino)-2-pyridin-3-ylacetonitrile

2-(methylamino)-2-pyridin-3-ylacetonitrile (PubChem CID 43115040) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(methylamino)-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(methylamino)-2-pyridin-3-ylacetonitrile
PubChem CID43115040
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(methylamino)-2-pyridin-3-ylacetonitrile
SMILESCNC(C#N)c1cccnc1
InChIInChI=1S/C8H9N3/c1-10-8(5-9)7-3-2-4-11-6-7/h2-4,6,8,10H,1H3
InChIKeyUEQHSGYUGIQBDY-UHFFFAOYSA-N
XLogP0.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-2-pyridin-3-ylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
2-(cyclopropylmethylamino)-2-pyridin-3-ylacetonitrile
CID 60995530
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028
2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
CID 121209893
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
2-(3-bromoanilino)-2-pyridin-3-ylacetonitrile
CID 54887346
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
3-[methylamino(pyridin-3-yl)methyl]oxetane-3-carbonitrile
CID 116959304
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
1-hydrazinyl-N-methyl-1-pyridin-3-ylmethanamine
CID 116961823

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-(methylamino)-2-pyridin-3-ylacetonitrile (CID 43115040) is 2-(methylamino)-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-(methylamino)-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-(methylamino)-2-pyridin-3-ylacetonitrile is CNC(C#N)c1cccnc1.
What is the InChIKey of 2-(methylamino)-2-pyridin-3-ylacetonitrile?
The InChIKey is UEQHSGYUGIQBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-10-8(5-9)7-3-2-4-11-6-7/h2-4,6,8,10H,1H3.
What are the key properties of 2-(methylamino)-2-pyridin-3-ylacetonitrile?
2-(methylamino)-2-pyridin-3-ylacetonitrile has a molecular weight of 147.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 43115040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).