methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate

C13H13N3O3S — CID 17087454

IUPACmethyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C13H13N3O3S/c1-8-3-4-10(14-7-8)16-13(18)15-9-5-6-20-11(9)12(17)19-2/h3-7H,1-2H3,(H2,14,15,16,18)
InChIKeyGYXDOTLMTMCXRV-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.88
Rot. Bonds3

About methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 17087454) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID17087454
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Namemethyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C13H13N3O3S/c1-8-3-4-10(14-7-8)16-13(18)15-9-5-6-20-11(9)12(17)19-2/h3-7H,1-2H3,(H2,14,15,16,18)
InChIKeyGYXDOTLMTMCXRV-UHFFFAOYSA-N
XLogP2.88
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 61093920
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
CID 166404732
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
CID 107371771
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
3-(hexanoylamino)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide;prop-1-ene
CID 143022700
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
methyl 3-[(2-bromo-3-methylbutanoyl)amino]thiophene-2-carboxylate
CID 43130541
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate (CID 17087454) is methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1ccc(C)cn1.
What is the InChIKey of methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is GYXDOTLMTMCXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8-3-4-10(14-7-8)16-13(18)15-9-5-6-20-11(9)12(17)19-2/h3-7H,1-2H3,(H2,14,15,16,18).
What are the key properties of methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-2-pyridinyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 17087454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).