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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Related Compounds

Pf-05105679
CID 60195662
6-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acid
CID 3922
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
6-Phenylnicotinic acid
CID 120118
1-Oxo-2-(2-pyridinylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid
CID 1487908
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
2-Benzoylnicotinic acid
CID 824599
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
4-(Pyridine-2-amido)benzoic acid
CID 16770258
4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic Acid
CID 893698
6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-nicotinic acid
CID 10360455

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).