6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid

C21H24N2O4 — CID 121495500

IUPAC6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(-c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C21H24N2O4/c1-23(13-21(14-24)10-2-3-11-21)19(25)16-6-4-15(5-7-16)18-9-8-17(12-22-18)20(26)27/h4-9,12,24H,2-3,10-11,13-14H2,1H3,(H,26,27)
InChIKeyLCXUOWLJJJKQEP-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.07
Rot. Bonds6

About 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid

6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid (PubChem CID 121495500) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid
PubChem CID121495500
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(-c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C21H24N2O4/c1-23(13-21(14-24)10-2-3-11-21)19(25)16-6-4-15(5-7-16)18-9-8-17(12-22-18)20(26)27/h4-9,12,24H,2-3,10-11,13-14H2,1H3,(H,26,27)
InChIKeyLCXUOWLJJJKQEP-UHFFFAOYSA-N
XLogP3.07
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid (CID 121495500) is 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid is CN(CC1(CO)CCCC1)C(=O)c1ccc(-c2ccc(C(=O)O)cn2)cc1.
What is the InChIKey of 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid?
The InChIKey is LCXUOWLJJJKQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23(13-21(14-24)10-2-3-11-21)19(25)16-6-4-15(5-7-16)18-9-8-17(12-22-18)20(26)27/h4-9,12,24H,2-3,10-11,13-14H2,1H3,(H,26,27).
What are the key properties of 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid?
6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 121495500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).