4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile

C16H15N3 — CID 163534777

IUPAC4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cncc(C(N)C3CC3)c2)cc1
InChIInChI=1S/C16H15N3/c17-8-11-1-3-12(4-2-11)14-7-15(10-19-9-14)16(18)13-5-6-13/h1-4,7,9-10,13,16H,5-6,18H2
InChIKeyDWAKTCFUEMNUEY-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.03
Rot. Bonds3

About 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile

4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile (PubChem CID 163534777) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile
PubChem CID163534777
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cncc(C(N)C3CC3)c2)cc1
InChIInChI=1S/C16H15N3/c17-8-11-1-3-12(4-2-11)14-7-15(10-19-9-14)16(18)13-5-6-13/h1-4,7,9-10,13,16H,5-6,18H2
InChIKeyDWAKTCFUEMNUEY-UHFFFAOYSA-N
XLogP3.03
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile (CID 163534777) is 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile is N#Cc1ccc(-c2cncc(C(N)C3CC3)c2)cc1.
What is the InChIKey of 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile?
The InChIKey is DWAKTCFUEMNUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-8-11-1-3-12(4-2-11)14-7-15(10-19-9-14)16(18)13-5-6-13/h1-4,7,9-10,13,16H,5-6,18H2.
What are the key properties of 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile?
4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 163534777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).