1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C23H27N3O3 — CID 45233342

IUPAC1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C23H27N3O3/c27-22(15-17-7-1-2-8-17)26-14-6-11-20(26)23(28)25-19-10-3-4-12-21(19)29-18-9-5-13-24-16-18/h3-5,9-10,12-13,16-17,20H,1-2,6-8,11,14-15H2,(H,25,28)
InChIKeyYIBHQRXSOWYOHG-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.38
Rot. Bonds6

About 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 45233342) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID45233342
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C23H27N3O3/c27-22(15-17-7-1-2-8-17)26-14-6-11-20(26)23(28)25-19-10-3-4-12-21(19)29-18-9-5-13-24-16-18/h3-5,9-10,12-13,16-17,20H,1-2,6-8,11,14-15H2,(H,25,28)
InChIKeyYIBHQRXSOWYOHG-UHFFFAOYSA-N
XLogP4.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 42516215
1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45218060
1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45171721
(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 26408124
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 26403384
1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45206101
(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352
(2S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 42197948
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45236373
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 45233342) is 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN1C(=O)CC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YIBHQRXSOWYOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(15-17-7-1-2-8-17)26-14-6-11-20(26)23(28)25-19-10-3-4-12-21(19)29-18-9-5-13-24-16-18/h3-5,9-10,12-13,16-17,20H,1-2,6-8,11,14-15H2,(H,25,28).
What are the key properties of 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45233342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).