5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid

C19H20N2O3 — CID 119137412

IUPAC5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCCC1Cc1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H20N2O3/c22-18(15-9-10-17(19(23)24)20-12-15)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)(H,23,24)
InChIKeyWQVSWIHRPLHCGT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds5

About 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid

5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119137412) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119137412
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCCC1Cc1ccccc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C19H20N2O3/c22-18(15-9-10-17(19(23)24)20-12-15)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)(H,23,24)
InChIKeyWQVSWIHRPLHCGT-UHFFFAOYSA-N
XLogP2.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid (CID 119137412) is 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is O=C(NC1CCCC1Cc1ccccc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is WQVSWIHRPLHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(15-9-10-17(19(23)24)20-12-15)21-16-8-4-7-14(16)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,14,16H,4,7-8,11H2,(H,21,22)(H,23,24).
What are the key properties of 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119137412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).