2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide

C13H12ClN3O — CID 156907218

IUPAC2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cncc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18)
InChIKeyOCRRKPZGCOGESB-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.62
Rot. Bonds3

About 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide

2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 156907218) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID156907218
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cncc(Cl)c1
InChIInChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18)
InChIKeyOCRRKPZGCOGESB-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide (CID 156907218) is 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cncc(Cl)c1.
What is the InChIKey of 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is OCRRKPZGCOGESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18).
What are the key properties of 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide?
2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 156907218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).