2-(dimethylamino)-3-pyridin-3-ylpropanenitrile

C10H13N3 — CID 82074886

IUPAC2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
SMILESCN(C)C(C#N)Cc1cccnc1
InChIInChI=1S/C10H13N3/c1-13(2)10(7-11)6-9-4-3-5-12-8-9/h3-5,8,10H,6H2,1-2H3
InChIKeyJVRAHQAEEMNETE-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.08
Rot. Bonds3

About 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile

2-(dimethylamino)-3-pyridin-3-ylpropanenitrile (PubChem CID 82074886) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
PubChem CID82074886
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
SMILESCN(C)C(C#N)Cc1cccnc1
InChIInChI=1S/C10H13N3/c1-13(2)10(7-11)6-9-4-3-5-12-8-9/h3-5,8,10H,6H2,1-2H3
InChIKeyJVRAHQAEEMNETE-UHFFFAOYSA-N
XLogP1.08
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(hydroxymethyl)-3-pyridin-3-ylpropanenitrile
CID 97034653
2-[methyl(2-pyridin-3-ylethyl)amino]propanenitrile
CID 63264562
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
methyl(2-pyridin-3-ylethyl)cyanamide
CID 117043571
2-(4-tert-butylphenyl)-3-pyridin-3-ylpropanenitrile
CID 82091574
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
CID 43242702
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile?
The IUPAC name of 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile (CID 82074886) is 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile is CN(C)C(C#N)Cc1cccnc1.
What is the InChIKey of 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile?
The InChIKey is JVRAHQAEEMNETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(2)10(7-11)6-9-4-3-5-12-8-9/h3-5,8,10H,6H2,1-2H3.
What are the key properties of 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile?
2-(dimethylamino)-3-pyridin-3-ylpropanenitrile has a molecular weight of 175.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 82074886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).