2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid

C13H13N3O4S — CID 115285096

IUPAC2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)c2cccs2)cn1
InChIInChI=1S/C13H13N3O4S/c1-20-10-5-4-8(7-14-10)15-13(19)16-11(12(17)18)9-3-2-6-21-9/h2-7,11H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNQODWPFLYJHSSZ-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.10
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid

2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid (PubChem CID 115285096) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
PubChem CID115285096
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)c2cccs2)cn1
InChIInChI=1S/C13H13N3O4S/c1-20-10-5-4-8(7-14-10)15-13(19)16-11(12(17)18)9-3-2-6-21-9/h2-7,11H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNQODWPFLYJHSSZ-UHFFFAOYSA-N
XLogP2.10
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methoxyphenyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115284233
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
2-[(1-methylpyrazol-4-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 113278892
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
N-[1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46652106
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid (CID 115285096) is 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid is COc1ccc(NC(=O)NC(C(=O)O)c2cccs2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is NQODWPFLYJHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-20-10-5-4-8(7-14-10)15-13(19)16-11(12(17)18)9-3-2-6-21-9/h2-7,11H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid?
2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 307.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115285096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).