N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide

C16H19N3O — CID 110681859

IUPACN-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H19N3O/c1-3-4-11-19(2)16(20)13-8-9-15(18-12-13)14-7-5-6-10-17-14/h5-10,12H,3-4,11H2,1-2H3
InChIKeyNPJQMOGGTQJVGN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.02
Rot. Bonds5

About N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide

N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 110681859) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
PubChem CID110681859
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H19N3O/c1-3-4-11-19(2)16(20)13-8-9-15(18-12-13)14-7-5-6-10-17-14/h5-10,12H,3-4,11H2,1-2H3
InChIKeyNPJQMOGGTQJVGN-UHFFFAOYSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide (CID 110681859) is N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is NPJQMOGGTQJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-4-11-19(2)16(20)13-8-9-15(18-12-13)14-7-5-6-10-17-14/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide?
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 110681859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).