5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

C20H23N3O5 — CID 120684986

IUPAC5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cc(C(C)NC(=O)c2cnc(C(=O)O)cn2)ccc1OC1CCCC1
InChIInChI=1S/C20H23N3O5/c1-12(23-19(24)15-10-22-16(11-21-15)20(25)26)13-7-8-17(18(9-13)27-2)28-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyNZDLGAZBTPXMSF-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.00
Rot. Bonds7

About 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid

5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120684986) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120684986
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1cc(C(C)NC(=O)c2cnc(C(=O)O)cn2)ccc1OC1CCCC1
InChIInChI=1S/C20H23N3O5/c1-12(23-19(24)15-10-22-16(11-21-15)20(25)26)13-7-8-17(18(9-13)27-2)28-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyNZDLGAZBTPXMSF-UHFFFAOYSA-N
XLogP3.00
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86994806
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(dimethylamino)benzamide
CID 55780983
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 55745736
2-(4-acetyl-2-methoxyphenoxy)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]acetamide
CID 55746116
(E)-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 55745702
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]morpholine-3-carboxamide
CID 119721132
1-(4-cyclopentyloxy-3-methoxyphenyl)ethanol
CID 43503851
N-[(1S)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 94028872
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505177

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid (CID 120684986) is 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is COc1cc(C(C)NC(=O)c2cnc(C(=O)O)cn2)ccc1OC1CCCC1.
What is the InChIKey of 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is NZDLGAZBTPXMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-12(23-19(24)15-10-22-16(11-21-15)20(25)26)13-7-8-17(18(9-13)27-2)28-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid?
5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120684986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).