3-[(pyridin-3-ylmethylamino)methyl]benzonitrile

C14H13N3 — CID 28670946

IUPAC3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2cccnc2)c1
InChIInChI=1S/C14H13N3/c15-8-12-3-1-4-13(7-12)9-17-11-14-5-2-6-16-10-14/h1-7,10,17H,9,11H2
InChIKeyWRNPZESXESSDKU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.24
Rot. Bonds4

About 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile

3-[(pyridin-3-ylmethylamino)methyl]benzonitrile (PubChem CID 28670946) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
PubChem CID28670946
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2cccnc2)c1
InChIInChI=1S/C14H13N3/c15-8-12-3-1-4-13(7-12)9-17-11-14-5-2-6-16-10-14/h1-7,10,17H,9,11H2
InChIKeyWRNPZESXESSDKU-UHFFFAOYSA-N
XLogP2.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(pyrimidin-5-ylmethylamino)methyl]benzonitrile
CID 55110281
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]benzonitrile
CID 107899724
3-[[(3,4-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54936274
3-[[(3-chloro-4-pyridinyl)amino]methyl]benzonitrile
CID 79840330
3-[(2-aminoethylamino)methyl]benzonitrile
CID 60887559
3-[(1H-pyrrol-3-ylmethylamino)methyl]benzonitrile
CID 66408745
3-bromo-4-[3-(pyridin-3-ylmethylamino)propylamino]benzonitrile
CID 82788356

Frequently Asked Questions

What is the IUPAC name of 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
The IUPAC name of 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile (CID 28670946) is 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
The canonical SMILES for 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile is N#Cc1cccc(CNCc2cccnc2)c1.
What is the InChIKey of 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
The InChIKey is WRNPZESXESSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-8-12-3-1-4-13(7-12)9-17-11-14-5-2-6-16-10-14/h1-7,10,17H,9,11H2.
What are the key properties of 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyridin-3-ylmethylamino)methyl]benzonitrile is sourced from PubChem (CID 28670946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).