6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

C15H15ClN2O — CID 60631168

IUPAC6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H15ClN2O/c1-11-5-3-4-6-13(11)10-18(2)15(19)12-7-8-14(16)17-9-12/h3-9H,10H2,1-2H3
InChIKeyHUAKYWPFIGEERZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.32
Rot. Bonds3

About 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide

6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 60631168) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID60631168
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H15ClN2O/c1-11-5-3-4-6-13(11)10-18(2)15(19)12-7-8-14(16)17-9-12/h3-9H,10H2,1-2H3
InChIKeyHUAKYWPFIGEERZ-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.32
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

5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 62249151
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
6-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 79004101
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
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-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide (CID 60631168) is 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is HUAKYWPFIGEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11-5-3-4-6-13(11)10-18(2)15(19)12-7-8-14(16)17-9-12/h3-9H,10H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide?
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.32, 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-[(2-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 60631168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).