4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C13H15N3O4 — CID 79216088

IUPAC4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2C=CC(C(=O)O)C2)cn1
InChIInChI=1S/C13H15N3O4/c1-20-11-5-4-10(7-14-11)16-13(19)15-9-3-2-8(6-9)12(17)18/h2-5,7-9H,6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyLAWQBRYYFCGZCK-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.24
Rot. Bonds4

About 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216088) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216088
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2C=CC(C(=O)O)C2)cn1
InChIInChI=1S/C13H15N3O4/c1-20-11-5-4-10(7-14-11)16-13(19)15-9-3-2-8(6-9)12(17)18/h2-5,7-9H,6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyLAWQBRYYFCGZCK-UHFFFAOYSA-N
XLogP1.24
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid with MolForge

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Related Compounds

1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
4-[(2,6-dimethoxybenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191926
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79216088) is 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is COc1ccc(NC(=O)NC2C=CC(C(=O)O)C2)cn1.
What is the InChIKey of 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is LAWQBRYYFCGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-20-11-5-4-10(7-14-11)16-13(19)15-9-3-2-8(6-9)12(17)18/h2-5,7-9H,6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).