4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide

C13H13N3O — CID 177186371

IUPAC4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide
SMILESCc1cc(C(N)=O)nc(C)c1-c1ccncc1
InChIInChI=1S/C13H13N3O/c1-8-7-11(13(14)17)16-9(2)12(8)10-3-5-15-6-4-10/h3-7H,1-2H3,(H2,14,17)
InChIKeyGOHQDVQXDRCVOP-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.86
Rot. Bonds2

About 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide

4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 177186371) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide
PubChem CID177186371
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide
SMILESCc1cc(C(N)=O)nc(C)c1-c1ccncc1
InChIInChI=1S/C13H13N3O/c1-8-7-11(13(14)17)16-9(2)12(8)10-3-5-15-6-4-10/h3-7H,1-2H3,(H2,14,17)
InChIKeyGOHQDVQXDRCVOP-UHFFFAOYSA-N
XLogP1.86
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide (CID 177186371) is 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide is Cc1cc(C(N)=O)nc(C)c1-c1ccncc1.
What is the InChIKey of 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is GOHQDVQXDRCVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-7-11(13(14)17)16-9(2)12(8)10-3-5-15-6-4-10/h3-7H,1-2H3,(H2,14,17).
What are the key properties of 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide?
4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 177186371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).