N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide

C14H15N3O — CID 43297585

IUPACN-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1ccc(N)cc1
InChIInChI=1S/C14H15N3O/c1-10(11-2-4-13(15)5-3-11)17-14(18)12-6-8-16-9-7-12/h2-10H,15H2,1H3,(H,17,18)
InChIKeyMUQLHDNZWOMKCQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.15
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide

N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 43297585) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
PubChem CID43297585
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1ccc(N)cc1
InChIInChI=1S/C14H15N3O/c1-10(11-2-4-13(15)5-3-11)17-14(18)12-6-8-16-9-7-12/h2-10H,15H2,1H3,(H,17,18)
InChIKeyMUQLHDNZWOMKCQ-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-(4-aminophenyl)ethyl]pyridine-4-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

4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[1-(6-bromo-3-pyridinyl)ethyl]pyridine-4-carboxamide
CID 140582807
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide (CID 43297585) is N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is MUQLHDNZWOMKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(11-2-4-13(15)5-3-11)17-14(18)12-6-8-16-9-7-12/h2-10H,15H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide?
N-[1-(4-aminophenyl)ethyl]pyridine-4-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-(4-aminophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 43297585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).