4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide

C18H14ClN3O — CID 127036952

IUPAC4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C18H14ClN3O/c19-15-7-5-12(6-8-15)16-9-14(10-22-17(16)20)11-1-3-13(4-2-11)18(21)23/h1-10H,(H2,20,22)(H2,21,23)
InChIKeyZUUYVKYIWHWGBI-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.75
Rot. Bonds3

About 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide

4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide (PubChem CID 127036952) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide
PubChem CID127036952
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C18H14ClN3O/c19-15-7-5-12(6-8-15)16-9-14(10-22-17(16)20)11-1-3-13(4-2-11)18(21)23/h1-10H,(H2,20,22)(H2,21,23)
InChIKeyZUUYVKYIWHWGBI-UHFFFAOYSA-N
XLogP3.75
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide (CID 127036952) is 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide?
The InChIKey is ZUUYVKYIWHWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-15-7-5-12(6-8-15)16-9-14(10-22-17(16)20)11-1-3-13(4-2-11)18(21)23/h1-10H,(H2,20,22)(H2,21,23).
What are the key properties of 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide?
4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide has a molecular weight of 323.78 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 127036952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).