3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide

C13H20N2O — CID 164554133

IUPAC3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(C(=O)NC(C)C(C)C)n1
InChIInChI=1S/C13H20N2O/c1-8(2)11(5)15-13(16)12-9(3)6-7-10(4)14-12/h6-8,11H,1-5H3,(H,15,16)
InChIKeyDMEQANUMGJUEOD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.47
Rot. Bonds3

About 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide

3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 164554133) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID164554133
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(C(=O)NC(C)C(C)C)n1
InChIInChI=1S/C13H20N2O/c1-8(2)11(5)15-13(16)12-9(3)6-7-10(4)14-12/h6-8,11H,1-5H3,(H,15,16)
InChIKeyDMEQANUMGJUEOD-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10608271
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CID 126961672
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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide (CID 164554133) is 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide is Cc1ccc(C)c(C(=O)NC(C)C(C)C)n1.
What is the InChIKey of 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is DMEQANUMGJUEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(2)11(5)15-13(16)12-9(3)6-7-10(4)14-12/h6-8,11H,1-5H3,(H,15,16).
What are the key properties of 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide?
3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(3-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 164554133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).