methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate

C13H12N2O3S — CID 43623574

IUPACmethyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccncc1
InChIInChI=1S/C13H12N2O3S/c1-18-13(17)12-10(4-7-19-12)15-11(16)8-9-2-5-14-6-3-9/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUDSAZFJLDCDUQO-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.11
Rot. Bonds4

About methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate

methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate (PubChem CID 43623574) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
PubChem CID43623574
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namemethyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccncc1
InChIInChI=1S/C13H12N2O3S/c1-18-13(17)12-10(4-7-19-12)15-11(16)8-9-2-5-14-6-3-9/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUDSAZFJLDCDUQO-UHFFFAOYSA-N
XLogP2.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
methyl 3-[(2-isoquinolin-5-ylacetyl)amino]thiophene-2-carboxylate
CID 52949817
methyl 3-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 43137996
methyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 896829
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
methyl 3-[[2-(2H-tetrazol-5-yl)acetyl]amino]thiophene-2-carboxylate
CID 110499554
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]thiophene-2-carboxylate
CID 43408089
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]thiophene-2-carboxylate
CID 43408037
3-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-2-carboxamide
CID 68754317

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate (CID 43623574) is methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1ccncc1.
What is the InChIKey of methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate?
The InChIKey is UDSAZFJLDCDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-13(17)12-10(4-7-19-12)15-11(16)8-9-2-5-14-6-3-9/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 43623574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).