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

C17H18N4 — CID 63880970

IUPAC4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(Cc2cccc(N)c2)C2CC2)ccn1
InChIInChI=1S/C17H18N4/c18-10-16-9-14(6-7-20-16)12-21(17-4-5-17)11-13-2-1-3-15(19)8-13/h1-3,6-9,17H,4-5,11-12,19H2
InChIKeyHNWFQKHMFNBWJG-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.70
Rot. Bonds5

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

4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile (PubChem CID 63880970) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
PubChem CID63880970
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(Cc2cccc(N)c2)C2CC2)ccn1
InChIInChI=1S/C17H18N4/c18-10-16-9-14(6-7-20-16)12-21(17-4-5-17)11-13-2-1-3-15(19)8-13/h1-3,6-9,17H,4-5,11-12,19H2
InChIKeyHNWFQKHMFNBWJG-UHFFFAOYSA-N
XLogP2.70
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile (CID 63880970) is 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile is N#Cc1cc(CN(Cc2cccc(N)c2)C2CC2)ccn1.
What is the InChIKey of 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is HNWFQKHMFNBWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-10-16-9-14(6-7-20-16)12-21(17-4-5-17)11-13-2-1-3-15(19)8-13/h1-3,6-9,17H,4-5,11-12,19H2.
What are the key properties of 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile?
4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63880970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).