6-chloro-N-methyl-N-propylpyridine-3-carboxamide

C10H13ClN2O — CID 43271303

IUPAC6-chloro-N-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-3-6-13(2)10(14)8-4-5-9(11)12-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyIFCCAQQFTNUYBD-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.22
Rot. Bonds3

About 6-chloro-N-methyl-N-propylpyridine-3-carboxamide

6-chloro-N-methyl-N-propylpyridine-3-carboxamide (PubChem CID 43271303) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-propylpyridine-3-carboxamide
PubChem CID43271303
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-N-methyl-N-propylpyridine-3-carboxamide
SMILESCCCN(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-3-6-13(2)10(14)8-4-5-9(11)12-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyIFCCAQQFTNUYBD-UHFFFAOYSA-N
XLogP2.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
6-chloro-N,N-bis(2-ethoxyethyl)pyridine-3-carboxamide
CID 82966067
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-propylpyridine-3-carboxamide (CID 43271303) is 6-chloro-N-methyl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-propylpyridine-3-carboxamide is CCCN(C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-propylpyridine-3-carboxamide?
The InChIKey is IFCCAQQFTNUYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-6-13(2)10(14)8-4-5-9(11)12-7-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-propylpyridine-3-carboxamide?
6-chloro-N-methyl-N-propylpyridine-3-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 43271303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).