1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C21H25N3O3 — CID 45171721

IUPAC1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C21H25N3O3/c1-21(2,3)20(26)24-13-7-10-17(24)19(25)23-16-9-4-5-11-18(16)27-15-8-6-12-22-14-15/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,23,25)
InChIKeyLEXSYJKVEGOZAM-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.85
Rot. Bonds4

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

1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 45171721) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID45171721
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C21H25N3O3/c1-21(2,3)20(26)24-13-7-10-17(24)19(25)23-16-9-4-5-11-18(16)27-15-8-6-12-22-14-15/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,23,25)
InChIKeyLEXSYJKVEGOZAM-UHFFFAOYSA-N
XLogP3.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 26408124
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
(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42101490
(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
(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 45171721) is 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCCC1C(=O)Nc1ccccc1Oc1cccnc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is LEXSYJKVEGOZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(2,3)20(26)24-13-7-10-17(24)19(25)23-16-9-4-5-11-18(16)27-15-8-6-12-22-14-15/h4-6,8-9,11-12,14,17H,7,10,13H2,1-3H3,(H,23,25).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45171721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).