5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid

C19H20N2O5 — CID 120515766

IUPAC5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H20N2O5/c22-16-3-1-2-4-17(16)26-14-8-6-13(7-9-14)21-18(23)12-5-10-15(19(24)25)20-11-12/h5-11,16-17,22H,1-4H2,(H,21,23)(H,24,25)
InChIKeyYFNJIBVZTBTUEO-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.71
Rot. Bonds5

About 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid

5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 120515766) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID120515766
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H20N2O5/c22-16-3-1-2-4-17(16)26-14-8-6-13(7-9-14)21-18(23)12-5-10-15(19(24)25)20-11-12/h5-11,16-17,22H,1-4H2,(H,21,23)(H,24,25)
InChIKeyYFNJIBVZTBTUEO-UHFFFAOYSA-N
XLogP2.71
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide
CID 99809452
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99809239
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
CID 111825146
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid (CID 120515766) is 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(OC2CCCCC2O)cc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YFNJIBVZTBTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-16-3-1-2-4-17(16)26-14-8-6-13(7-9-14)21-18(23)12-5-10-15(19(24)25)20-11-12/h5-11,16-17,22H,1-4H2,(H,21,23)(H,24,25).
What are the key properties of 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120515766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).