methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate

C13H13N3O3S — CID 167489018

IUPACmethyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2cccnc2)c1C
InChIInChI=1S/C13H13N3O3S/c1-7-9(13(18)19-2)11(14)20-10(7)12(17)16-8-4-3-5-15-6-8/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyGQMFFSMUPYQVKF-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate

methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate (PubChem CID 167489018) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
PubChem CID167489018
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(N)sc(C(=O)Nc2cccnc2)c1C
InChIInChI=1S/C13H13N3O3S/c1-7-9(13(18)19-2)11(14)20-10(7)12(17)16-8-4-3-5-15-6-8/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyGQMFFSMUPYQVKF-UHFFFAOYSA-N
XLogP2.07
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]thiophene-3-carboxylate
CID 1129095
4-fluoro-3-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 26817295
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
CID 896695
methyl 2-amino-5-[(2,4-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 694717
methyl 2-amino-5-[(2,5-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 808900
3-amino-7-methyl-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 107112759
5-amino-3-methyl-2-N-(2-methylphenyl)-4-N-phenylthiophene-2,4-dicarboxamide
CID 162787157
3-amino-4,6-dimethyl-N-pyridin-3-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81036760
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369
methyl 4-ethyl-5-methyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate
CID 972224
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 3680511

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate (CID 167489018) is methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate is COC(=O)c1c(N)sc(C(=O)Nc2cccnc2)c1C.
What is the InChIKey of methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is GQMFFSMUPYQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-7-9(13(18)19-2)11(14)20-10(7)12(17)16-8-4-3-5-15-6-8/h3-6H,14H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate?
methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-5-(pyridin-3-ylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 167489018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).