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

C16H16N4 — CID 60876489

IUPAC2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H16N4/c17-10-13-2-1-9-19-16(13)20(15-7-8-15)11-12-3-5-14(18)6-4-12/h1-6,9,15H,7-8,11,18H2
InChIKeyNWNCJSGUTJUFEC-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.70
Rot. Bonds4

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

2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile (PubChem CID 60876489) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
PubChem CID60876489
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H16N4/c17-10-13-2-1-9-19-16(13)20(15-7-8-15)11-12-3-5-14(18)6-4-12/h1-6,9,15H,7-8,11,18H2
InChIKeyNWNCJSGUTJUFEC-UHFFFAOYSA-N
XLogP2.70
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.70
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-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile
CID 80516550
2-[(4-aminophenyl)methyl-cyclopropylamino]benzonitrile
CID 60876666
2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562
2-[cyclopropyl-[(2R)-2-hydroxy-2-phenylethyl]amino]pyridine-3-carbonitrile
CID 97228477
3-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 82817619
N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine
CID 62254254
3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
CID 82816961
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine
CID 104606437
4-[(4-aminophenyl)methyl-cyclopropylamino]-3-bromobenzonitrile
CID 82789919
N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
CID 114836415
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile (CID 60876489) is 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile is N#Cc1cccnc1N(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile?
The InChIKey is NWNCJSGUTJUFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-10-13-2-1-9-19-16(13)20(15-7-8-15)11-12-3-5-14(18)6-4-12/h1-6,9,15H,7-8,11,18H2.
What are the key properties of 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile?
2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 60876489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).