2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile

C10H13N3 — CID 114955540

IUPAC2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
SMILESCc1ccncc1CNC(C)C#N
InChIInChI=1S/C10H13N3/c1-8-3-4-12-6-10(8)7-13-9(2)5-11/h3-4,6,9,13H,7H2,1-2H3
InChIKeyOHOFONGUNREBDA-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.39
Rot. Bonds3

About 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile

2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile (PubChem CID 114955540) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
PubChem CID114955540
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
SMILESCc1ccncc1CNC(C)C#N
InChIInChI=1S/C10H13N3/c1-8-3-4-12-6-10(8)7-13-9(2)5-11/h3-4,6,9,13H,7H2,1-2H3
InChIKeyOHOFONGUNREBDA-UHFFFAOYSA-N
XLogP1.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581
N-[(4-methyl-3-pyridinyl)methyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 114955084
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 82939347
2-[(4-methyl-3-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113406700
N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153
N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114955136
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
CID 115901861
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 114957968
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile?
The IUPAC name of 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile (CID 114955540) is 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile.
What is the SMILES notation for 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile?
The canonical SMILES for 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile is Cc1ccncc1CNC(C)C#N.
What is the InChIKey of 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile?
The InChIKey is OHOFONGUNREBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-3-4-12-6-10(8)7-13-9(2)5-11/h3-4,6,9,13H,7H2,1-2H3.
What are the key properties of 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile?
2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile has a molecular weight of 175.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile is sourced from PubChem (CID 114955540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).