N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide

C15H18N2OS — CID 164675630

IUPACN-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(C)c1-c1ccsc1
InChIInChI=1S/C15H18N2OS/c1-3-4-6-17-15(18)13-9-16-8-11(2)14(13)12-5-7-19-10-12/h5,7-10H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyJQWPXHLVGROOCU-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.65
Rot. Bonds5

About N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide

N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 164675630) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide
PubChem CID164675630
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(C)c1-c1ccsc1
InChIInChI=1S/C15H18N2OS/c1-3-4-6-17-15(18)13-9-16-8-11(2)14(13)12-5-7-19-10-12/h5,7-10H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyJQWPXHLVGROOCU-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-thiophen-3-ylbenzamide
CID 155529683
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
2-methyl-N-[2-(methylamino)ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 119500262
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
N-butylpyridine-4-carboxamide
CID 5030535
5-amino-4-nitro-N-pentylpyridine-3-carboxamide
CID 67636473
N-hexyl-2-methylbenzamide
CID 3017102
4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81241625
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
N-butyl-2-phenylbenzamide
CID 21064565

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide (CID 164675630) is N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide is CCCCNC(=O)c1cncc(C)c1-c1ccsc1.
What is the InChIKey of N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is JQWPXHLVGROOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-4-6-17-15(18)13-9-16-8-11(2)14(13)12-5-7-19-10-12/h5,7-10H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide?
N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-4-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 164675630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).