N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide

C19H15ClN2O — CID 46032908

IUPACN-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClN2O/c20-18-8-6-15(7-9-18)16-10-17(13-21-12-16)19(23)22-11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,22,23)
InChIKeyFWHXSLFSGPLDBM-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.33
Rot. Bonds4

About N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide

N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide (PubChem CID 46032908) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide
PubChem CID46032908
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC NameN-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClN2O/c20-18-8-6-15(7-9-18)16-10-17(13-21-12-16)19(23)22-11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,22,23)
InChIKeyFWHXSLFSGPLDBM-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide (CID 46032908) is N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide is O=C(NCc1ccccc1)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is FWHXSLFSGPLDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-18-8-6-15(7-9-18)16-10-17(13-21-12-16)19(23)22-11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H,22,23).
What are the key properties of N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide?
N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 46032908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).