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

C15H16N4 — CID 62924524

IUPAC4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
SMILESCCN(Cc1ccc(N)cc1)c1ccnc(C#N)c1
InChIInChI=1S/C15H16N4/c1-2-19(11-12-3-5-13(17)6-4-12)15-7-8-18-14(9-15)10-16/h3-9H,2,11,17H2,1H3
InChIKeyHNOUHUAAONJPHY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds4

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

4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile (PubChem CID 62924524) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
PubChem CID62924524
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
SMILESCCN(Cc1ccc(N)cc1)c1ccnc(C#N)c1
InChIInChI=1S/C15H16N4/c1-2-19(11-12-3-5-13(17)6-4-12)15-7-8-18-14(9-15)10-16/h3-9H,2,11,17H2,1H3
InChIKeyHNOUHUAAONJPHY-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

5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
4-[ethyl(2-hydroxyethyl)amino]pyridine-2-carbonitrile
CID 62926432
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 63880581
4-(dibutylamino)pyridine-2-carbonitrile
CID 62924779
4-[ethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 62924784
4-N-ethyl-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-diamine
CID 113367608
2-[2-amino-5-[ethyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
CID 102624019
2-[(4-aminophenyl)methyl-ethylamino]-6-bromobenzonitrile
CID 114887477
2-[(4-aminophenyl)methyl-ethylamino]-6-chlorobenzonitrile
CID 62496514
4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
CID 65476799
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
CID 60875696
4-[[benzyl(ethyl)amino]methyl]pyridine-2-carbonitrile
CID 63886343

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile (CID 62924524) is 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile is CCN(Cc1ccc(N)cc1)c1ccnc(C#N)c1.
What is the InChIKey of 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
The InChIKey is HNOUHUAAONJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-19(11-12-3-5-13(17)6-4-12)15-7-8-18-14(9-15)10-16/h3-9H,2,11,17H2,1H3.
What are the key properties of 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile?
4-[(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 4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 62924524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).