N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide

C18H24N2OS — CID 55903262

IUPACN-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCCC(CC)C(NC(=O)c1ccc(C)nc1C)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-5-14(6-2)17(16-8-7-11-22-16)20-18(21)15-10-9-12(3)19-13(15)4/h7-11,14,17H,5-6H2,1-4H3,(H,20,21)
InChIKeyHFNLAWANMCASIN-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.67
Rot. Bonds6

About N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide

N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 55903262) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID55903262
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCCC(CC)C(NC(=O)c1ccc(C)nc1C)c1cccs1
InChIInChI=1S/C18H24N2OS/c1-5-14(6-2)17(16-8-7-11-22-16)20-18(21)15-10-9-12(3)19-13(15)4/h7-11,14,17H,5-6H2,1-4H3,(H,20,21)
InChIKeyHFNLAWANMCASIN-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
4-bromo-N-(2-ethyl-1-thiophen-2-ylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 55904549
3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
4-[(2-ethyl-1-thiophen-2-ylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673032
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932
2-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)pentanamide;hydrochloride
CID 119300993
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
5-(acetamidomethyl)-N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]furan-2-carboxamide
CID 95157907

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide (CID 55903262) is N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide is CCC(CC)C(NC(=O)c1ccc(C)nc1C)c1cccs1.
What is the InChIKey of N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is HFNLAWANMCASIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-5-14(6-2)17(16-8-7-11-22-16)20-18(21)15-10-9-12(3)19-13(15)4/h7-11,14,17H,5-6H2,1-4H3,(H,20,21).
What are the key properties of N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 55903262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).