2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C14H14N2O3S — CID 114324276

IUPAC2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)s1
InChIInChI=1S/C14H14N2O3S/c1-2-11-3-4-12(20-11)13(17)16-8-10-7-9(14(18)19)5-6-15-10/h3-7H,2,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyNYWOIUGCRPXUIM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.33
Rot. Bonds5

About 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324276) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324276
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)s1
InChIInChI=1S/C14H14N2O3S/c1-2-11-3-4-12(20-11)13(17)16-8-10-7-9(14(18)19)5-6-15-10/h3-7H,2,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyNYWOIUGCRPXUIM-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-nitrothiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324206
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 47399039
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324060
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324258
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107938249
2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325221

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324276) is 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is CCc1ccc(C(=O)NCc2cc(C(=O)O)ccn2)s1.
What is the InChIKey of 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is NYWOIUGCRPXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-11-3-4-12(20-11)13(17)16-8-10-7-9(14(18)19)5-6-15-10/h3-7H,2,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).