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

C14H13N3 — CID 28671240

IUPAC4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C14H13N3/c15-8-12-3-5-13(6-4-12)9-17-11-14-2-1-7-16-10-14/h1-7,10,17H,9,11H2
InChIKeyGXXHYTBDZRUJNP-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.24
Rot. Bonds4

About 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile

4-[(pyridin-3-ylmethylamino)methyl]benzonitrile (PubChem CID 28671240) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
PubChem CID28671240
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C14H13N3/c15-8-12-3-5-13(6-4-12)9-17-11-14-2-1-7-16-10-14/h1-7,10,17H,9,11H2
InChIKeyGXXHYTBDZRUJNP-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-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
3-bromo-4-[3-(pyridin-3-ylmethylamino)propylamino]benzonitrile
CID 82788356
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
CID 43242702
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
1-[2-(pyridin-3-ylmethylamino)ethyl]indole-5-carbonitrile
CID 107920082
4-[[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112860865

Frequently Asked Questions

What is the IUPAC name of 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
The IUPAC name of 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile (CID 28671240) is 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile.
What is the SMILES notation for 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
The canonical SMILES for 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile is N#Cc1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
The InChIKey is GXXHYTBDZRUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-8-12-3-5-13(6-4-12)9-17-11-14-2-1-7-16-10-14/h1-7,10,17H,9,11H2.
What are the key properties of 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile?
4-[(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 4-[(pyridin-3-ylmethylamino)methyl]benzonitrile is sourced from PubChem (CID 28671240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).