methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C14H15N3O3S — CID 104742021

IUPACmethyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ncccc2N)sc(C)c1C
InChIInChI=1S/C14H15N3O3S/c1-7-8(2)21-13(10(7)14(19)20-3)17-12(18)11-9(15)5-4-6-16-11/h4-6H,15H2,1-3H3,(H,17,18)
InChIKeyLROCQKPSYFZLAA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 104742021) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID104742021
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ncccc2N)sc(C)c1C
InChIInChI=1S/C14H15N3O3S/c1-7-8(2)21-13(10(7)14(19)20-3)17-12(18)11-9(15)5-4-6-16-11/h4-6H,15H2,1-3H3,(H,17,18)
InChIKeyLROCQKPSYFZLAA-UHFFFAOYSA-N
XLogP2.38
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
methyl 4,5-dimethyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 6468834
3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498171
methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254
methyl 4,5-dimethyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
CID 43981345
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 62113370
ethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 134056648
ethyl 3-aminopyridine-2-carboxylate
CID 565054
2-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500135

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 104742021) is methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ncccc2N)sc(C)c1C.
What is the InChIKey of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is LROCQKPSYFZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-8(2)21-13(10(7)14(19)20-3)17-12(18)11-9(15)5-4-6-16-11/h4-6H,15H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 104742021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).