(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C22H27N3O3 — CID 26408124

IUPAC(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C22H27N3O3/c1-3-16(4-2)22(27)25-14-8-11-19(25)21(26)24-18-10-5-6-12-20(18)28-17-9-7-13-23-15-17/h5-7,9-10,12-13,15-16,19H,3-4,8,11,14H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyLXCZJDLYKYTPBX-LJQANCHMSA-N
MW381.48 g/mol
LogP4.24
Rot. Bonds7

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

(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 26408124) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID26408124
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C22H27N3O3/c1-3-16(4-2)22(27)25-14-8-11-19(25)21(26)24-18-10-5-6-12-20(18)28-17-9-7-13-23-15-17/h5-7,9-10,12-13,15-16,19H,3-4,8,11,14H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyLXCZJDLYKYTPBX-LJQANCHMSA-N
XLogP4.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45171721
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
1-(2-cyclopentylacetyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45233342
(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 26403384
(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-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45206101
(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-[(5-ethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25288806
(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352
(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42101490

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 26408124) is (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is CCC(CC)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1.
What is the InChIKey of (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is LXCZJDLYKYTPBX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-16(4-2)22(27)25-14-8-11-19(25)21(26)24-18-10-5-6-12-20(18)28-17-9-7-13-23-15-17/h5-7,9-10,12-13,15-16,19H,3-4,8,11,14H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 26408124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).