6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid

C12H14N2O4 — CID 54995273

IUPAC6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N(CCO)C2CC2)nc1
InChIInChI=1S/C12H14N2O4/c15-6-5-14(9-2-3-9)11(16)10-4-1-8(7-13-10)12(17)18/h1,4,7,9,15H,2-3,5-6H2,(H,17,18)
InChIKeyKPEFRNGOTJFMSF-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.38
Rot. Bonds5

About 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid

6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 54995273) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID54995273
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N(CCO)C2CC2)nc1
InChIInChI=1S/C12H14N2O4/c15-6-5-14(9-2-3-9)11(16)10-4-1-8(7-13-10)12(17)18/h1,4,7,9,15H,2-3,5-6H2,(H,17,18)
InChIKeyKPEFRNGOTJFMSF-UHFFFAOYSA-N
XLogP0.38
TPSA90.73 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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 63723702
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 154842023
6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 66462316
N-cyclopropyl-6-(dimethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 43576622
N-cyclopropyl-N-(2-hydroxyethyl)-6-methoxypyridine-3-carboxamide
CID 43577386
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62186526
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 102861024

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid (CID 54995273) is 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)N(CCO)C2CC2)nc1.
What is the InChIKey of 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is KPEFRNGOTJFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-6-5-14(9-2-3-9)11(16)10-4-1-8(7-13-10)12(17)18/h1,4,7,9,15H,2-3,5-6H2,(H,17,18).
What are the key properties of 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid?
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 54995273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).