5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide

C15H24N2O — CID 176964984

IUPAC5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCC(C)(CC)c1ccc(C(=O)NC(C)C)nc1
InChIInChI=1S/C15H24N2O/c1-6-15(5,7-2)12-8-9-13(16-10-12)14(18)17-11(3)4/h8-11H,6-7H2,1-5H3,(H,17,18)
InChIKeyWENNPTCBZDLAON-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.30
Rot. Bonds5

About 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide

5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 176964984) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID176964984
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCC(C)(CC)c1ccc(C(=O)NC(C)C)nc1
InChIInChI=1S/C15H24N2O/c1-6-15(5,7-2)12-8-9-13(16-10-12)14(18)17-11(3)4/h8-11H,6-7H2,1-5H3,(H,17,18)
InChIKeyWENNPTCBZDLAON-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
2-[(5-tert-butylpyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 122107400
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
ethane;5-methyl-N-propan-2-ylpyridine-2-carboxamide;molecular hydrogen
CID 171564740
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
5-tert-butyl-N-hydroxypyridine-2-carboxamide
CID 155087996
5-[butyl(methyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179517
N-(1-chloro-4-methylpentan-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106354916
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide (CID 176964984) is 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide is CCC(C)(CC)c1ccc(C(=O)NC(C)C)nc1.
What is the InChIKey of 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is WENNPTCBZDLAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-15(5,7-2)12-8-9-13(16-10-12)14(18)17-11(3)4/h8-11H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide?
5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 176964984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).