5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid

C12H14N2O4 — CID 146133446

IUPAC5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)NOCC1CC1
InChIInChI=1S/C12H14N2O4/c1-7-10(4-9(5-13-7)12(16)17)11(15)14-18-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyOOLIVAUMKCCPPX-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.16
Rot. Bonds5

About 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid

5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 146133446) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid
PubChem CID146133446
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)NOCC1CC1
InChIInChI=1S/C12H14N2O4/c1-7-10(4-9(5-13-7)12(16)17)11(15)14-18-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyOOLIVAUMKCCPPX-UHFFFAOYSA-N
XLogP1.16
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid (CID 146133446) is 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1C(=O)NOCC1CC1.
What is the InChIKey of 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is OOLIVAUMKCCPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-10(4-9(5-13-7)12(16)17)11(15)14-18-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid?
5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxycarbamoyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 146133446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).