N-butan-2-yl-6-methoxypyridine-2-carboxamide

C11H16N2O2 — CID 110848498

IUPACN-butan-2-yl-6-methoxypyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(OC)n1
InChIInChI=1S/C11H16N2O2/c1-4-8(2)12-11(14)9-6-5-7-10(13-9)15-3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyWRUQIIREMILXIL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.62
Rot. Bonds4

About N-butan-2-yl-6-methoxypyridine-2-carboxamide

N-butan-2-yl-6-methoxypyridine-2-carboxamide (PubChem CID 110848498) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-butan-2-yl-6-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-methoxypyridine-2-carboxamide
PubChem CID110848498
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-butan-2-yl-6-methoxypyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(OC)n1
InChIInChI=1S/C11H16N2O2/c1-4-8(2)12-11(14)9-6-5-7-10(13-9)15-3/h5-8H,4H2,1-3H3,(H,12,14)
InChIKeyWRUQIIREMILXIL-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-methoxypyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-6-methoxypyridine-2-carboxamide (CID 110848498) is N-butan-2-yl-6-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-methoxypyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-6-methoxypyridine-2-carboxamide is CCC(C)NC(=O)c1cccc(OC)n1.
What is the InChIKey of N-butan-2-yl-6-methoxypyridine-2-carboxamide?
The InChIKey is WRUQIIREMILXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-8(2)12-11(14)9-6-5-7-10(13-9)15-3/h5-8H,4H2,1-3H3,(H,12,14).
What are the key properties of N-butan-2-yl-6-methoxypyridine-2-carboxamide?
N-butan-2-yl-6-methoxypyridine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-methoxypyridine-2-carboxamide is sourced from PubChem (CID 110848498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).