N-benzyl-6-(chloromethyl)pyridine-2-carboxamide

C14H13ClN2O — CID 67806614

IUPACN-benzyl-6-(chloromethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc(CCl)n1
InChIInChI=1S/C14H13ClN2O/c15-9-12-7-4-8-13(17-12)14(18)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)
InChIKeyVGJDDJFGPJLAIW-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.75
Rot. Bonds4

About N-benzyl-6-(chloromethyl)pyridine-2-carboxamide

N-benzyl-6-(chloromethyl)pyridine-2-carboxamide (PubChem CID 67806614) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-benzyl-6-(chloromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(chloromethyl)pyridine-2-carboxamide
PubChem CID67806614
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-benzyl-6-(chloromethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc(CCl)n1
InChIInChI=1S/C14H13ClN2O/c15-9-12-7-4-8-13(17-12)14(18)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)
InChIKeyVGJDDJFGPJLAIW-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
2-N-benzyl-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109097324
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
N-benzyl-8-hydroxyquinoline-2-carboxamide
CID 46364206
methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109097311
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
6-N-benzyl-6-N-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097660

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(chloromethyl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-6-(chloromethyl)pyridine-2-carboxamide (CID 67806614) is N-benzyl-6-(chloromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(chloromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-6-(chloromethyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cccc(CCl)n1.
What is the InChIKey of N-benzyl-6-(chloromethyl)pyridine-2-carboxamide?
The InChIKey is VGJDDJFGPJLAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-9-12-7-4-8-13(17-12)14(18)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18).
What are the key properties of N-benzyl-6-(chloromethyl)pyridine-2-carboxamide?
N-benzyl-6-(chloromethyl)pyridine-2-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(chloromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 67806614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).