6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C19H20N2O4 — CID 119185944

IUPAC6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc(COC3CCCC3)cc2)n1
InChIInChI=1S/C19H20N2O4/c22-18(16-6-3-7-17(21-16)19(23)24)20-14-10-8-13(9-11-14)12-25-15-4-1-2-5-15/h3,6-11,15H,1-2,4-5,12H2,(H,20,22)(H,23,24)
InChIKeyGOSKKTWGLMGXHR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.49
Rot. Bonds6

About 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119185944) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119185944
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2ccc(COC3CCCC3)cc2)n1
InChIInChI=1S/C19H20N2O4/c22-18(16-6-3-7-17(21-16)19(23)24)20-14-10-8-13(9-11-14)12-25-15-4-1-2-5-15/h3,6-11,15H,1-2,4-5,12H2,(H,20,22)(H,23,24)
InChIKeyGOSKKTWGLMGXHR-UHFFFAOYSA-N
XLogP3.49
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[4-(cyclopentyloxymethyl)phenyl]benzamide
CID 119330109
4-(cyclobutyloxymethyl)-N-(4-hydroxyphenyl)benzamide
CID 143182219
2-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976294
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]acetamide;hydrochloride
CID 119330098
2-[2-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]phenyl]sulfanylpropanoic acid
CID 119185942
N-[4-(cyclopentyloxymethyl)phenyl]-2-(methylamino)acetamide
CID 119795210
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119330112
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
N-[3-(cyclohexyloxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86849988
6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942
2-N-(4-ethylphenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093713
4-(cyclopentyloxymethyl)pyridine-2-carboxylic acid
CID 63885745

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119185944) is 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2ccc(COC3CCCC3)cc2)n1.
What is the InChIKey of 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is GOSKKTWGLMGXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(16-6-3-7-17(21-16)19(23)24)20-14-10-8-13(9-11-14)12-25-15-4-1-2-5-15/h3,6-11,15H,1-2,4-5,12H2,(H,20,22)(H,23,24).
What are the key properties of 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(cyclopentyloxymethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119185944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).