5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile

C15H16N4 — CID 115490478

IUPAC5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
SMILESCCN(Cc1ccc(N)cc1)c1ccc(C#N)nc1
InChIInChI=1S/C15H16N4/c1-2-19(11-12-3-5-13(17)6-4-12)15-8-7-14(9-16)18-10-15/h3-8,10H,2,11,17H2,1H3
InChIKeyXAAURCRKQUFNQW-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds4

About 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile

5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile (PubChem CID 115490478) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
PubChem CID115490478
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
SMILESCCN(Cc1ccc(N)cc1)c1ccc(C#N)nc1
InChIInChI=1S/C15H16N4/c1-2-19(11-12-3-5-13(17)6-4-12)15-8-7-14(9-16)18-10-15/h3-8,10H,2,11,17H2,1H3
InChIKeyXAAURCRKQUFNQW-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 62924524
5-[ethyl-[(3-fluorophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133370048
5-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pyridine-2-carbonitrile
CID 176963272
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 115487766
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carbonitrile
CID 79838651
2-[(4-aminophenyl)methyl-ethylamino]-6-chlorobenzonitrile
CID 62496514
2-[(4-aminophenyl)methyl-ethylamino]-6-bromobenzonitrile
CID 114887477
4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
CID 65476799
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
5-(4-ethyl-N-methylanilino)pyridine-2-carbonitrile
CID 115487644
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
CID 115487597
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile (CID 115490478) is 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile is CCN(Cc1ccc(N)cc1)c1ccc(C#N)nc1.
What is the InChIKey of 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
The InChIKey is XAAURCRKQUFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-19(11-12-3-5-13(17)6-4-12)15-8-7-14(9-16)18-10-15/h3-8,10H,2,11,17H2,1H3.
What are the key properties of 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 115490478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).