1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

C10H10N2O3 — CID 62095693

IUPAC1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C10H10N2O3/c13-8(10(4-5-10)9(14)15)12-7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H,14,15)(H,11,12,13)
InChIKeySARKHEKDOTUYJO-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.88
Rot. Bonds3

About 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 62095693) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID62095693
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C10H10N2O3/c13-8(10(4-5-10)9(14)15)12-7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H,14,15)(H,11,12,13)
InChIKeySARKHEKDOTUYJO-UHFFFAOYSA-N
XLogP0.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide
CID 142413626
1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
1-[(3-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095862
1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097117
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
(Z)-3-hydroxy-N-pyridin-2-yl-3-(pyridin-2-ylamino)prop-2-enamide
CID 134096374
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
pyridine;N-pyridin-2-ylacetamide
CID 67298573
4-methyl-1-propan-2-yl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 134515265
1-[(2-methyl-3-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79044431

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 62095693) is 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is SARKHEKDOTUYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-8(10(4-5-10)9(14)15)12-7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H,14,15)(H,11,12,13).
What are the key properties of 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).