3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile

C15H16N4 — CID 62895109

IUPAC3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(N)cc1)Cc1cccnc1C#N
InChIInChI=1S/C15H16N4/c1-19(10-12-4-6-14(17)7-5-12)11-13-3-2-8-18-15(13)9-16/h2-8H,10-11,17H2,1H3
InChIKeyLDZFNGCDVGKVCQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.17
Rot. Bonds4

About 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile

3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62895109) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
PubChem CID62895109
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccc(N)cc1)Cc1cccnc1C#N
InChIInChI=1S/C15H16N4/c1-19(10-12-4-6-14(17)7-5-12)11-13-3-2-8-18-15(13)9-16/h2-8H,10-11,17H2,1H3
InChIKeyLDZFNGCDVGKVCQ-UHFFFAOYSA-N
XLogP2.17
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921272
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 79381926
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62921108
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 115317894
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133
4-[[methyl(quinolin-6-ylmethyl)amino]methyl]aniline
CID 43458332
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carbonitrile
CID 62920948

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile (CID 62895109) is 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile is CN(Cc1ccc(N)cc1)Cc1cccnc1C#N.
What is the InChIKey of 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is LDZFNGCDVGKVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19(10-12-4-6-14(17)7-5-12)11-13-3-2-8-18-15(13)9-16/h2-8H,10-11,17H2,1H3.
What are the key properties of 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile?
3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).