6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

C12H18N2O — CID 10104445

IUPAC6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(C)C)cn1
InChIInChI=1S/C12H18N2O/c1-9(2)6-7-13-12(15)11-5-4-10(3)14-8-11/h4-5,8-9H,6-7H2,1-3H3,(H,13,15)
InChIKeyWBRKEEKIJPVBRB-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.17
Rot. Bonds4

About 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide

6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 10104445) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID10104445
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(C)C)cn1
InChIInChI=1S/C12H18N2O/c1-9(2)6-7-13-12(15)11-5-4-10(3)14-8-11/h4-5,8-9H,6-7H2,1-3H3,(H,13,15)
InChIKeyWBRKEEKIJPVBRB-UHFFFAOYSA-N
XLogP2.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide (CID 10104445) is 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCC(C)C)cn1.
What is the InChIKey of 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is WBRKEEKIJPVBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)6-7-13-12(15)11-5-4-10(3)14-8-11/h4-5,8-9H,6-7H2,1-3H3,(H,13,15).
What are the key properties of 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide?
6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 10104445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).