4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile

C14H13N3 — CID 79041711

IUPAC4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
SMILESCc1ncccc1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H13N3/c1-11-14(3-2-8-16-11)17-10-13-6-4-12(9-15)5-7-13/h2-8,17H,10H2,1H3
InChIKeyJYWHSJQUQWDWQJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds3

About 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile

4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile (PubChem CID 79041711) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
PubChem CID79041711
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
SMILESCc1ncccc1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H13N3/c1-11-14(3-2-8-16-11)17-10-13-6-4-12(9-15)5-7-13/h2-8,17H,10H2,1H3
InChIKeyJYWHSJQUQWDWQJ-UHFFFAOYSA-N
XLogP2.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43707745
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
5-[[(2-methyl-3-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 79614650
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
CID 115748626
2-methyl-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 79042132
methyl 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzoate
CID 79041701
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 79041862

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile (CID 79041711) is 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile is Cc1ncccc1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is JYWHSJQUQWDWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-14(3-2-8-16-11)17-10-13-6-4-12(9-15)5-7-13/h2-8,17H,10H2,1H3.
What are the key properties of 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile?
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 79041711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).