6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

C20H22N2O3 — CID 136556641

IUPAC6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)cn1)C1CCCCC1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-22(19(23)17-12-11-15(13-21-17)20(24)25)18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-4,7-8,11-13,16,18H,5-6,9-10H2,1H3,(H,24,25)
InChIKeyONSLMAYETXBZGC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.58
Rot. Bonds4

About 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid

6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 136556641) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID136556641
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)cn1)C1CCCCC1c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-22(19(23)17-12-11-15(13-21-17)20(24)25)18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-4,7-8,11-13,16,18H,5-6,9-10H2,1H3,(H,24,25)
InChIKeyONSLMAYETXBZGC-UHFFFAOYSA-N
XLogP3.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid (CID 136556641) is 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is CN(C(=O)c1ccc(C(=O)O)cn1)C1CCCCC1c1ccccc1.
What is the InChIKey of 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ONSLMAYETXBZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22(19(23)17-12-11-15(13-21-17)20(24)25)18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-4,7-8,11-13,16,18H,5-6,9-10H2,1H3,(H,24,25).
What are the key properties of 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid?
6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(2-phenylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 136556641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).