5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide

C14H13ClN2O2 — CID 762528

IUPAC5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C14H13ClN2O2/c1-9-5-6-16-13(7-9)17-14(18)11-8-10(15)3-4-12(11)19-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyXXZBPFPADAXGDM-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.30
Rot. Bonds3

About 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide

5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 762528) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID762528
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(C)ccn1
InChIInChI=1S/C14H13ClN2O2/c1-9-5-6-16-13(7-9)17-14(18)11-8-10(15)3-4-12(11)19-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyXXZBPFPADAXGDM-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide (CID 762528) is 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(C)ccn1.
What is the InChIKey of 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is XXZBPFPADAXGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-5-6-16-13(7-9)17-14(18)11-8-10(15)3-4-12(11)19-2/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 276.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 762528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).