1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

C19H20N2O4 — CID 166284946

IUPAC1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(OCc3ccccn3)cc2)CCCC1
InChIInChI=1S/C19H20N2O4/c22-17(19(18(23)24)10-2-3-11-19)21-14-6-8-16(9-7-14)25-13-15-5-1-4-12-20-15/h1,4-9,12H,2-3,10-11,13H2,(H,21,22)(H,23,24)
InChIKeyVHDVHHVNICZYRK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.24
Rot. Bonds6

About 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 166284946) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID166284946
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(OCc3ccccn3)cc2)CCCC1
InChIInChI=1S/C19H20N2O4/c22-17(19(18(23)24)10-2-3-11-19)21-14-6-8-16(9-7-14)25-13-15-5-1-4-12-20-15/h1,4-9,12H,2-3,10-11,13H2,(H,21,22)(H,23,24)
InChIKeyVHDVHHVNICZYRK-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
4-[1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopentyl]benzoic acid
CID 66864364
1-N-(4-phenylmethoxyphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970545
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388
N-[6-(pyridin-2-ylmethoxy)naphthalen-2-yl]acetamide
CID 23356926
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 166284946) is 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2ccc(OCc3ccccn3)cc2)CCCC1.
What is the InChIKey of 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VHDVHHVNICZYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(19(18(23)24)10-2-3-11-19)21-14-6-8-16(9-7-14)25-13-15-5-1-4-12-20-15/h1,4-9,12H,2-3,10-11,13H2,(H,21,22)(H,23,24).
What are the key properties of 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166284946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).