6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide

C15H15ClN2O — CID 17168005

IUPAC6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-2-13(11-6-4-3-5-7-11)18-15(19)12-8-9-14(16)17-10-12/h3-10,13H,2H2,1H3,(H,18,19)
InChIKeyMMZDIWWYMNNNGZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.62
Rot. Bonds4

About 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide

6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide (PubChem CID 17168005) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
PubChem CID17168005
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(Cl)nc1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-2-13(11-6-4-3-5-7-11)18-15(19)12-8-9-14(16)17-10-12/h3-10,13H,2H2,1H3,(H,18,19)
InChIKeyMMZDIWWYMNNNGZ-UHFFFAOYSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(1-phenylpropyl)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

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
(2S)-2-[(6-chloropyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93303062
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 62304573
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
CID 88751278
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040520
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide (CID 17168005) is 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide is CCC(NC(=O)c1ccc(Cl)nc1)c1ccccc1.
What is the InChIKey of 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is MMZDIWWYMNNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-13(11-6-4-3-5-7-11)18-15(19)12-8-9-14(16)17-10-12/h3-10,13H,2H2,1H3,(H,18,19).
What are the key properties of 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide?
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 17168005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).