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

C16H18N4 — CID 60877236

IUPAC2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
SMILESCCCN(Cc1ccccc1N)c1cc(C#N)ccn1
InChIInChI=1S/C16H18N4/c1-2-9-20(12-14-5-3-4-6-15(14)18)16-10-13(11-17)7-8-19-16/h3-8,10H,2,9,12,18H2,1H3
InChIKeyKMHBNZGTOOXLQJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.95
Rot. Bonds5

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

2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile (PubChem CID 60877236) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
PubChem CID60877236
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
SMILESCCCN(Cc1ccccc1N)c1cc(C#N)ccn1
InChIInChI=1S/C16H18N4/c1-2-9-20(12-14-5-3-4-6-15(14)18)16-10-13(11-17)7-8-19-16/h3-8,10H,2,9,12,18H2,1H3
InChIKeyKMHBNZGTOOXLQJ-UHFFFAOYSA-N
XLogP2.95
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
2-(dipropylamino)pyridine-4-carbonitrile
CID 14640854
4-[(2-aminophenyl)methyl-propylamino]-3-bromobenzonitrile
CID 82788895
2-[butyl(ethyl)amino]pyridine-4-carbonitrile
CID 24696203
2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 62115648
N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
CID 83062625
2-[(2-aminophenyl)methyl-propylamino]-5-chlorobenzonitrile
CID 62493361
2-[3-(diethylamino)propyl-ethylamino]pyridine-4-carbonitrile
CID 102993231
N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
CID 106876283
2-[(2-aminophenyl)methyl-propylamino]-6-fluorobenzonitrile
CID 60877231
3-amino-4-[benzyl(propyl)amino]benzonitrile
CID 43587707
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile (CID 60877236) is 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile is CCCN(Cc1ccccc1N)c1cc(C#N)ccn1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile?
The InChIKey is KMHBNZGTOOXLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-9-20(12-14-5-3-4-6-15(14)18)16-10-13(11-17)7-8-19-16/h3-8,10H,2,9,12,18H2,1H3.
What are the key properties of 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile?
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 60877236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).