methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate

C14H15N3O3S — CID 122141163

IUPACmethyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)NCCc2cccs2)c1
InChIInChI=1S/C14H15N3O3S/c1-20-13(18)10-4-6-15-12(9-10)17-14(19)16-7-5-11-3-2-8-21-11/h2-4,6,8-9H,5,7H2,1H3,(H2,15,16,17,19)
InChIKeyYPYPJHZCWBUVJL-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.29
Rot. Bonds5

About methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate

methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate (PubChem CID 122141163) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate
PubChem CID122141163
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)NCCc2cccs2)c1
InChIInChI=1S/C14H15N3O3S/c1-20-13(18)10-4-6-15-12(9-10)17-14(19)16-7-5-11-3-2-8-21-11/h2-4,6,8-9H,5,7H2,1H3,(H2,15,16,17,19)
InChIKeyYPYPJHZCWBUVJL-UHFFFAOYSA-N
XLogP2.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974
1-(2,6-dichloro-4-pyridinyl)-3-(2-thiophen-2-ylethyl)urea
CID 3286045
methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate
CID 118712299
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
N-(4-methoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 75435246
2-(ethylamino)-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55047494
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate
CID 66287228

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate (CID 122141163) is methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)NCCc2cccs2)c1.
What is the InChIKey of methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate?
The InChIKey is YPYPJHZCWBUVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-20-13(18)10-4-6-15-12(9-10)17-14(19)16-7-5-11-3-2-8-21-11/h2-4,6,8-9H,5,7H2,1H3,(H2,15,16,17,19).
What are the key properties of methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate?
methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate is sourced from PubChem (CID 122141163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).