5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid

C16H18N2O3S — CID 146143160

IUPAC5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(C)NC(=O)c2cncc(C(=O)O)c2C)c(C)s1
InChIInChI=1S/C16H18N2O3S/c1-8-5-12(11(4)22-8)10(3)18-15(19)13-6-17-7-14(9(13)2)16(20)21/h5-7,10H,1-4H3,(H,18,19)(H,20,21)
InChIKeyVUKZHQYBEISSKY-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.26
Rot. Bonds4

About 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid

5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid (PubChem CID 146143160) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
PubChem CID146143160
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(C)NC(=O)c2cncc(C(=O)O)c2C)c(C)s1
InChIInChI=1S/C16H18N2O3S/c1-8-5-12(11(4)22-8)10(3)18-15(19)13-6-17-7-14(9(13)2)16(20)21/h5-7,10H,1-4H3,(H,18,19)(H,20,21)
InChIKeyVUKZHQYBEISSKY-UHFFFAOYSA-N
XLogP3.26
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
CID 81242851
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81233505
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95595685
4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 146143201
5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
CID 62815438
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 107281803

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid (CID 146143160) is 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid is Cc1cc(C(C)NC(=O)c2cncc(C(=O)O)c2C)c(C)s1.
What is the InChIKey of 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
The InChIKey is VUKZHQYBEISSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-8-5-12(11(4)22-8)10(3)18-15(19)13-6-17-7-14(9(13)2)16(20)21/h5-7,10H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid?
5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 146143160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).