1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H12N2O3 — CID 62097117

IUPAC1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(NC(=O)C2(C(=O)O)CC2)n1
InChIInChI=1S/C11H12N2O3/c1-7-3-2-4-8(12-7)13-9(14)11(5-6-11)10(15)16/h2-4H,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyVGNCMRZDOYOBNW-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.19
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62097117) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62097117
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cccc(NC(=O)C2(C(=O)O)CC2)n1
InChIInChI=1S/C11H12N2O3/c1-7-3-2-4-8(12-7)13-9(14)11(5-6-11)10(15)16/h2-4H,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyVGNCMRZDOYOBNW-UHFFFAOYSA-N
XLogP1.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.19
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

ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide
CID 143872763
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
1-ethoxy-N-(6-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 154739227
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 110439778
15-methyl-N-(6-methyl-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596312
1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 51096728
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
CID 120937717
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62307208
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
1-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154746744
(5R)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465353

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62097117) is 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1cccc(NC(=O)C2(C(=O)O)CC2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VGNCMRZDOYOBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-3-2-4-8(12-7)13-9(14)11(5-6-11)10(15)16/h2-4H,5-6H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62097117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).