6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid

C12H14N2O4 — CID 115268274

IUPAC6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid
SMILESCCOC(=O)N(c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C12H14N2O4/c1-2-18-12(17)14(9-4-5-9)10-6-3-8(7-13-10)11(15)16/h3,6-7,9H,2,4-5H2,1H3,(H,15,16)
InChIKeyCOEMCDPBBCABES-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.91
Rot. Bonds4

About 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid

6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 115268274) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid
PubChem CID115268274
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid
SMILESCCOC(=O)N(c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C12H14N2O4/c1-2-18-12(17)14(9-4-5-9)10-6-3-8(7-13-10)11(15)16/h3,6-7,9H,2,4-5H2,1H3,(H,15,16)
InChIKeyCOEMCDPBBCABES-UHFFFAOYSA-N
XLogP1.91
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid (CID 115268274) is 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid is CCOC(=O)N(c1ccc(C(=O)O)cn1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is COEMCDPBBCABES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-2-18-12(17)14(9-4-5-9)10-6-3-8(7-13-10)11(15)16/h3,6-7,9H,2,4-5H2,1H3,(H,15,16).
What are the key properties of 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid?
6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(ethoxycarbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115268274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).