2-butyl-4-methylpyridine-3-carboxamide

C11H16N2O — CID 68808466

IUPAC2-butyl-4-methylpyridine-3-carboxamide
SMILESCCCCc1nccc(C)c1C(N)=O
InChIInChI=1S/C11H16N2O/c1-3-4-5-9-10(11(12)14)8(2)6-7-13-9/h6-7H,3-5H2,1-2H3,(H2,12,14)
InChIKeyMMAOYACALZNXIT-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.83
Rot. Bonds4

About 2-butyl-4-methylpyridine-3-carboxamide

2-butyl-4-methylpyridine-3-carboxamide (PubChem CID 68808466) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-butyl-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-butyl-4-methylpyridine-3-carboxamide
PubChem CID68808466
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-butyl-4-methylpyridine-3-carboxamide
SMILESCCCCc1nccc(C)c1C(N)=O
InChIInChI=1S/C11H16N2O/c1-3-4-5-9-10(11(12)14)8(2)6-7-13-9/h6-7H,3-5H2,1-2H3,(H2,12,14)
InChIKeyMMAOYACALZNXIT-UHFFFAOYSA-N
XLogP1.83
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methylpyridine-3-carboxamide?
The IUPAC name of 2-butyl-4-methylpyridine-3-carboxamide (CID 68808466) is 2-butyl-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-butyl-4-methylpyridine-3-carboxamide?
The canonical SMILES for 2-butyl-4-methylpyridine-3-carboxamide is CCCCc1nccc(C)c1C(N)=O.
What is the InChIKey of 2-butyl-4-methylpyridine-3-carboxamide?
The InChIKey is MMAOYACALZNXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-5-9-10(11(12)14)8(2)6-7-13-9/h6-7H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 2-butyl-4-methylpyridine-3-carboxamide?
2-butyl-4-methylpyridine-3-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 68808466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).