N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide

C17H20N2OS — CID 86918361

IUPACN-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C17H20N2OS/c1-5-19(11-12(2)3)17(20)14-8-9-15(18-13(14)4)16-7-6-10-21-16/h6-10H,2,5,11H2,1,3-4H3
InChIKeyKTPVXIOFKWGRGI-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.16
Rot. Bonds5

About N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide

N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 86918361) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID86918361
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(-c2cccs2)nc1C
InChIInChI=1S/C17H20N2OS/c1-5-19(11-12(2)3)17(20)14-8-9-15(18-13(14)4)16-7-6-10-21-16/h6-10H,2,5,11H2,1,3-4H3
InChIKeyKTPVXIOFKWGRGI-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid
CID 120519701
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
N,2-dimethyl-N-phenyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428121
4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid
CID 120513830
N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057
N-ethyl-1-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 30949855
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 112822749
N,N-diethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 4247339
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55473455
3-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]propanoic acid
CID 120516645
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-methyl-6-thiophen-2-ylpyridine-3-carboxylate
CID 30177914
N,N-diethyl-2,6-dimethylpyridine-3-carboxamide
CID 60924937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide (CID 86918361) is N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide is C=C(C)CN(CC)C(=O)c1ccc(-c2cccs2)nc1C.
What is the InChIKey of N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is KTPVXIOFKWGRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-5-19(11-12(2)3)17(20)14-8-9-15(18-13(14)4)16-7-6-10-21-16/h6-10H,2,5,11H2,1,3-4H3.
What are the key properties of N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide?
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 86918361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).