N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide

C14H15N3O — CID 43297891

IUPACN-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1ccccc1N
InChIInChI=1S/C14H15N3O/c1-10(12-6-2-3-7-13(12)15)17-14(18)11-5-4-8-16-9-11/h2-10H,15H2,1H3,(H,17,18)
InChIKeyUMRUJYBTOSIJNK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.15
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide

N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 43297891) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
PubChem CID43297891
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1ccccc1N
InChIInChI=1S/C14H15N3O/c1-10(12-6-2-3-7-13(12)15)17-14(18)11-5-4-8-16-9-11/h2-10H,15H2,1H3,(H,17,18)
InChIKeyUMRUJYBTOSIJNK-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155606933
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444
N-[1-(2-aminophenyl)ethyl]-4-hydroxybenzamide
CID 43297837
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116011
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
CID 62829021

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide (CID 43297891) is N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is UMRUJYBTOSIJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(12-6-2-3-7-13(12)15)17-14(18)11-5-4-8-16-9-11/h2-10H,15H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide?
N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 43297891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).