methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate

C12H10N2O3S — CID 897624

IUPACmethyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccncc1
InChIInChI=1S/C12H10N2O3S/c1-17-12(16)10-9(4-7-18-10)14-11(15)8-2-5-13-6-3-8/h2-7H,1H3,(H,14,15)
InChIKeyODZDKAIBGWBEQC-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.18
Rot. Bonds3

About methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate

methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate (PubChem CID 897624) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate
PubChem CID897624
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Namemethyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccncc1
InChIInChI=1S/C12H10N2O3S/c1-17-12(16)10-9(4-7-18-10)14-11(15)8-2-5-13-6-3-8/h2-7H,1H3,(H,14,15)
InChIKeyODZDKAIBGWBEQC-UHFFFAOYSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[(5-Methylthiophen-2-yl)methyl]amino}pyridine-4-carboxylic acid
CID 77106317
3-[(4-Methylthiophen-2-Yl)methylamino]pyridine-4-Carboxylic Acid
CID 114286469
Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 2764765
NEP inhibitor, 6l
CID 22418296
Ethyl 4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 1672531
(E)-N-[(1S)-1-(5-methyl-4-oxo-thieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-(2-pyridyl)prop-2-enamide
CID 6478348
2-[(Pyridin-3-ylcarbonyl)amino]ethyl thiophene-2-carboxylate
CID 649732
Methyl 2-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 667093
Methyl 4-methyl-2-(2-(4-(pyridin-4-yl)phenyl)acetamido)thiophene-3-carboxylate
CID 45104966
3-(Thiophen-3-ylmethylamino)pyridine-4-carboxylic acid
CID 89825587
3-[(3-Methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 89825693
Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
CID 874726

Frequently Asked Questions

What is the IUPAC name of methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate (CID 897624) is methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccncc1.
What is the InChIKey of methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate?
The InChIKey is ODZDKAIBGWBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-17-12(16)10-9(4-7-18-10)14-11(15)8-2-5-13-6-3-8/h2-7H,1H3,(H,14,15).
What are the key properties of methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate?
methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate has a molecular weight of 262.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(pyridine-4-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 897624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).