N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide

C17H18N4O — CID 69360095

IUPACN-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C2=CCNCC2)nc1
InChIInChI=1S/C17H18N4O/c18-14-3-1-2-4-16(14)21-17(22)13-5-6-15(20-11-13)12-7-9-19-10-8-12/h1-7,11,19H,8-10,18H2,(H,21,22)
InChIKeyAGRALPPMPLYVCW-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.29
Rot. Bonds3

About N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide

N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide (PubChem CID 69360095) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
PubChem CID69360095
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(C2=CCNCC2)nc1
InChIInChI=1S/C17H18N4O/c18-14-3-1-2-4-16(14)21-17(22)13-5-6-15(20-11-13)12-7-9-19-10-8-12/h1-7,11,19H,8-10,18H2,(H,21,22)
InChIKeyAGRALPPMPLYVCW-UHFFFAOYSA-N
XLogP2.29
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)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-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
CID 69361738
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
CID 165119006
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-6-(1,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 123593113
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
N-(2-aminophenyl)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
CID 16662939
2-N-(2-aminophenyl)-5-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 10266798
[(3R)-pyrrolidin-3-yl] N-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-N-(2-methoxyethyl)carbamate
CID 91454115

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide (CID 69360095) is N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide is Nc1ccccc1NC(=O)c1ccc(C2=CCNCC2)nc1.
What is the InChIKey of N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
The InChIKey is AGRALPPMPLYVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-14-3-1-2-4-16(14)21-17(22)13-5-6-15(20-11-13)12-7-9-19-10-8-12/h1-7,11,19H,8-10,18H2,(H,21,22).
What are the key properties of N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide?
N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 69360095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).