2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide

C17H29N3O — CID 106331355

IUPAC2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cc(NC)nc(C(C)(C)C)c1
InChIInChI=1S/C17H29N3O/c1-8-17(6,9-2)20-15(21)12-10-13(16(3,4)5)19-14(11-12)18-7/h10-11H,8-9H2,1-7H3,(H,18,19)(H,20,21)
InChIKeyUPSDDZIXNKCBHE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.73
Rot. Bonds5

About 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide

2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide (PubChem CID 106331355) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
PubChem CID106331355
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
SMILESCCC(C)(CC)NC(=O)c1cc(NC)nc(C(C)(C)C)c1
InChIInChI=1S/C17H29N3O/c1-8-17(6,9-2)20-15(21)12-10-13(16(3,4)5)19-14(11-12)18-7/h10-11H,8-9H2,1-7H3,(H,18,19)(H,20,21)
InChIKeyUPSDDZIXNKCBHE-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-tert-butyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 106331302
2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331240
2-tert-butyl-6-(methylamino)-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114540490
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
2-amino-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331239
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
2-tert-butyl-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853573
2-tert-butyl-6-hydrazinyl-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107590035
2-tert-butyl-6-(2-methylsulfanylethylamino)pyridine-4-carboxylic acid
CID 113380277
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
2,6-ditert-butyl-N-methylpyrimidin-4-amine
CID 62192327

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide (CID 106331355) is 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide is CCC(C)(CC)NC(=O)c1cc(NC)nc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
The InChIKey is UPSDDZIXNKCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-8-17(6,9-2)20-15(21)12-10-13(16(3,4)5)19-14(11-12)18-7/h10-11H,8-9H2,1-7H3,(H,18,19)(H,20,21).
What are the key properties of 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide?
2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 106331355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).