methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate

C12H9ClN2O3S — CID 59140476

IUPACmethyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClN2O3S/c1-18-12(17)10-7(3-2-6-14-10)15-11(16)8-4-5-9(13)19-8/h2-6H,1H3,(H,15,16)
InChIKeyNTXUAJHTHUMXNT-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.84
Rot. Bonds3

About methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate

methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate (PubChem CID 59140476) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate
PubChem CID59140476
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC Namemethyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H9ClN2O3S/c1-18-12(17)10-7(3-2-6-14-10)15-11(16)8-4-5-9(13)19-8/h2-6H,1H3,(H,15,16)
InChIKeyNTXUAJHTHUMXNT-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-phenoxy-3-pyridinyl)thiophene-2-carboxamide
CID 43068513
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate
CID 59140505
5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 841081
5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)thiophene-2-carboxamide
CID 53166273
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
5-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 55037454
5-chloro-N-(2-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 47165423
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
5-bromo-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79043907

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate (CID 59140476) is methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate is COC(=O)c1ncccc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate?
The InChIKey is NTXUAJHTHUMXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c1-18-12(17)10-7(3-2-6-14-10)15-11(16)8-4-5-9(13)19-8/h2-6H,1H3,(H,15,16).
What are the key properties of methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate?
methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate has a molecular weight of 296.74 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 59140476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).