4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile

C14H13N3 — CID 113278299

IUPAC4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cncc(NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C14H13N3/c1-11-6-14(10-16-8-11)17-9-13-4-2-12(7-15)3-5-13/h2-6,8,10,17H,9H2,1H3
InChIKeyLSZWVGCFJUOGMW-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.87
Rot. Bonds3

About 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile

4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile (PubChem CID 113278299) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile
PubChem CID113278299
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile
SMILESCc1cncc(NCc2ccc(C#N)cc2)c1
InChIInChI=1S/C14H13N3/c1-11-6-14(10-16-8-11)17-9-13-4-2-12(7-15)3-5-13/h2-6,8,10,17H,9H2,1H3
InChIKeyLSZWVGCFJUOGMW-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-[[[5-(propylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 104534184
5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine
CID 103823979
4-[(4-amino-3-methylanilino)methyl]benzonitrile
CID 62268769
5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
CID 103824113
4-(anilinomethyl)benzonitrile
CID 11148468
4-[(3-iodo-4-methylanilino)methyl]benzonitrile
CID 43230322
N-[(4-bromo-3-nitrophenyl)methyl]-5-methylpyridin-3-amine
CID 103824089
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
4-[(4-cyanophenyl)methylamino]pyridine-2-carbonitrile
CID 62925693
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile (CID 113278299) is 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile is Cc1cncc(NCc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is LSZWVGCFJUOGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-6-14(10-16-8-11)17-9-13-4-2-12(7-15)3-5-13/h2-6,8,10,17H,9H2,1H3.
What are the key properties of 4-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile?
4-[[(5-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-[[(5-methyl-3-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 113278299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).