N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide

C13H11ClN2O — CID 882114

IUPACN-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H11ClN2O/c14-12-4-2-1-3-11(12)9-16-13(17)10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyACUCQBLIAFXAOP-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.66
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide

N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 882114) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
PubChem CID882114
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC NameN-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H11ClN2O/c14-12-4-2-1-3-11(12)9-16-13(17)10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyACUCQBLIAFXAOP-UHFFFAOYSA-N
XLogP2.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide (CID 882114) is N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccccc1Cl)c1ccncc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is ACUCQBLIAFXAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-12-4-2-1-3-11(12)9-16-13(17)10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 246.70 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 882114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).