5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide

C19H14Cl2N2O — CID 52948346

IUPAC5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H14Cl2N2O/c20-17-7-5-13(6-8-17)15-9-16(11-22-10-15)19(24)23-12-14-3-1-2-4-18(14)21/h1-11H,12H2,(H,23,24)
InChIKeyCKNIOMWTEPBNFF-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.99
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 52948346) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
PubChem CID52948346
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H14Cl2N2O/c20-17-7-5-13(6-8-17)15-9-16(11-22-10-15)19(24)23-12-14-3-1-2-4-18(14)21/h1-11H,12H2,(H,23,24)
InChIKeyCKNIOMWTEPBNFF-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide (CID 52948346) is 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is CKNIOMWTEPBNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c20-17-7-5-13(6-8-17)15-9-16(11-22-10-15)19(24)23-12-14-3-1-2-4-18(14)21/h1-11H,12H2,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 357.24 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 52948346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).