2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide

C16H18ClN3O — CID 114699468

IUPAC2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccncc2C)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-3-4-14-7-13(8-15(17)20-14)16(21)19-10-12-5-6-18-9-11(12)2/h5-9H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyVZOKYXDNWSYQFK-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.32
Rot. Bonds5

About 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide

2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide (PubChem CID 114699468) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
PubChem CID114699468
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccncc2C)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-3-4-14-7-13(8-15(17)20-14)16(21)19-10-12-5-6-18-9-11(12)2/h5-9H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyVZOKYXDNWSYQFK-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-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

2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701884
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107701218
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide (CID 114699468) is 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCc2ccncc2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide?
The InChIKey is VZOKYXDNWSYQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-4-14-7-13(8-15(17)20-14)16(21)19-10-12-5-6-18-9-11(12)2/h5-9H,3-4,10H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide?
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 114699468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).