N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide

C18H13ClN2O — CID 67120985

IUPACN-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C18H13ClN2O/c19-15-9-7-13(8-10-15)16-5-1-2-6-17(16)21-18(22)14-4-3-11-20-12-14/h1-12H,(H,21,22)
InChIKeyIHFCDYAEGQBUDY-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.65
Rot. Bonds3

About N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide

N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide (PubChem CID 67120985) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
PubChem CID67120985
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC NameN-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C18H13ClN2O/c19-15-9-7-13(8-10-15)16-5-1-2-6-17(16)21-18(22)14-4-3-11-20-12-14/h1-12H,(H,21,22)
InChIKeyIHFCDYAEGQBUDY-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide (CID 67120985) is N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide?
The InChIKey is IHFCDYAEGQBUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-15-9-7-13(8-10-15)16-5-1-2-6-17(16)21-18(22)14-4-3-11-20-12-14/h1-12H,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 67120985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).