5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C18H14ClN3O — CID 52947108

IUPAC5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN3O/c19-17-5-3-14(4-6-17)15-8-16(12-21-11-15)18(23)22-10-13-2-1-7-20-9-13/h1-9,11-12H,10H2,(H,22,23)
InChIKeyXBQOWXKKLBELLJ-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.73
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 52947108) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID52947108
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN3O/c19-17-5-3-14(4-6-17)15-8-16(12-21-11-15)18(23)22-10-13-2-1-7-20-9-13/h1-9,11-12H,10H2,(H,22,23)
InChIKeyXBQOWXKKLBELLJ-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 52947108) is 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XBQOWXKKLBELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-17-5-3-14(4-6-17)15-8-16(12-21-11-15)18(23)22-10-13-2-1-7-20-9-13/h1-9,11-12H,10H2,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 52947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).