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

C22H27N3O2 — CID 45218060

IUPAC1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN1CC1CCCC1
InChIInChI=1S/C22H27N3O2/c26-22(20-11-6-14-25(20)16-17-7-1-2-8-17)24-19-10-3-4-12-21(19)27-18-9-5-13-23-15-18/h3-5,9-10,12-13,15,17,20H,1-2,6-8,11,14,16H2,(H,24,26)
InChIKeyYHGZVXWMCIIZJM-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.47
Rot. Bonds6

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

1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 45218060) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID45218060
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN1CC1CCCC1
InChIInChI=1S/C22H27N3O2/c26-22(20-11-6-14-25(20)16-17-7-1-2-8-17)24-19-10-3-4-12-21(19)27-18-9-5-13-23-15-18/h3-5,9-10,12-13,15,17,20H,1-2,6-8,11,14,16H2,(H,24,26)
InChIKeyYHGZVXWMCIIZJM-UHFFFAOYSA-N
XLogP4.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.47
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-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45233342
1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45206101
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45171721
(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
(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 26408124
(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 26403384
(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
(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 45218060) is 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YHGZVXWMCIIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(20-11-6-14-25(20)16-17-7-1-2-8-17)24-19-10-3-4-12-21(19)27-18-9-5-13-23-15-18/h3-5,9-10,12-13,15,17,20H,1-2,6-8,11,14,16H2,(H,24,26).
What are the key properties of 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45218060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).