N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide

C13H13N3O — CID 112532425

IUPACN-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccncc2)cn1
InChIInChI=1S/C13H13N3O/c1-10-2-3-12(9-15-10)16-13(17)8-11-4-6-14-7-5-11/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyFKZFSTSWYPDWQO-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.97
Rot. Bonds3

About N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide

N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide (PubChem CID 112532425) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
PubChem CID112532425
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccncc2)cn1
InChIInChI=1S/C13H13N3O/c1-10-2-3-12(9-15-10)16-13(17)8-11-4-6-14-7-5-11/h2-7,9H,8H2,1H3,(H,16,17)
InChIKeyFKZFSTSWYPDWQO-UHFFFAOYSA-N
XLogP1.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide (CID 112532425) is N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide is Cc1ccc(NC(=O)Cc2ccncc2)cn1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide?
The InChIKey is FKZFSTSWYPDWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-10-2-3-12(9-15-10)16-13(17)8-11-4-6-14-7-5-11/h2-7,9H,8H2,1H3,(H,16,17).
What are the key properties of N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide?
N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide has a molecular weight of 227.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 112532425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).