2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile

C10H13N3 — CID 43242702

IUPAC2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
SMILESCC(C#N)CNCc1cccnc1
InChIInChI=1S/C10H13N3/c1-9(5-11)6-13-8-10-3-2-4-12-7-10/h2-4,7,9,13H,6,8H2,1H3
InChIKeyUHHTYQHWDDHLKY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.33
Rot. Bonds4

About 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile

2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile (PubChem CID 43242702) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
PubChem CID43242702
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
SMILESCC(C#N)CNCc1cccnc1
InChIInChI=1S/C10H13N3/c1-9(5-11)6-13-8-10-3-2-4-12-7-10/h2-4,7,9,13H,6,8H2,1H3
InChIKeyUHHTYQHWDDHLKY-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
CID 62763078
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
methyl (2S)-2-methyl-3-(pyridin-3-ylmethylamino)propanoate
CID 93035167
(2R)-3-(pyridin-3-ylmethylamino)propane-1,2-diol
CID 94252864
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803190
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
2-(2-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803196
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile?
The IUPAC name of 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile (CID 43242702) is 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile is CC(C#N)CNCc1cccnc1.
What is the InChIKey of 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile?
The InChIKey is UHHTYQHWDDHLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-9(5-11)6-13-8-10-3-2-4-12-7-10/h2-4,7,9,13H,6,8H2,1H3.
What are the key properties of 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile?
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile has a molecular weight of 175.23 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile is sourced from PubChem (CID 43242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).