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

C14H13N3 — CID 60704932

IUPAC4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cccnc1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H13N3/c1-11-3-2-8-16-14(11)17-10-13-6-4-12(9-15)5-7-13/h2-8H,10H2,1H3,(H,16,17)
InChIKeyKLKMDXATJZXOPV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds3

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

4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile (PubChem CID 60704932) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
PubChem CID60704932
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cccnc1NCc1ccc(C#N)cc1
InChIInChI=1S/C14H13N3/c1-11-3-2-8-16-14(11)17-10-13-6-4-12(9-15)5-7-13/h2-8H,10H2,1H3,(H,16,17)
InChIKeyKLKMDXATJZXOPV-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

N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
5-[[(3-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 115735493
4-[[(3-aminopyrazin-2-yl)amino]methyl]benzonitrile
CID 113228938
3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine
CID 66973402
methyl 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzoate
CID 83316546
4-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43707745
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
4-[[(3-methyl-1H-pyrrolo[3,4-c]pyridin-4-yl)amino]methyl]benzonitrile
CID 91546952
4-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]benzonitrile
CID 104730788
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile (CID 60704932) is 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile is Cc1cccnc1NCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is KLKMDXATJZXOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-3-2-8-16-14(11)17-10-13-6-4-12(9-15)5-7-13/h2-8H,10H2,1H3,(H,16,17).
What are the key properties of 4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile?
4-[[(3-methyl-2-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-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 60704932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).