(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide

C21H26N4O3 — CID 26403384

IUPAC(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C21H26N4O3/c1-2-3-13-23-21(27)25-14-7-10-18(25)20(26)24-17-9-4-5-11-19(17)28-16-8-6-12-22-15-16/h4-6,8-9,11-12,15,18H,2-3,7,10,13-14H2,1H3,(H,23,27)(H,24,26)/t18-/m1/s1
InChIKeyFCKYLLDXLZBCPG-GOSISDBHSA-N
MW382.46 g/mol
LogP3.79
Rot. Bonds7

About (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 26403384) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID26403384
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCCCNC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1
InChIInChI=1S/C21H26N4O3/c1-2-3-13-23-21(27)25-14-7-10-18(25)20(26)24-17-9-4-5-11-19(17)28-16-8-6-12-22-15-16/h4-6,8-9,11-12,15,18H,2-3,7,10,13-14H2,1H3,(H,23,27)(H,24,26)/t18-/m1/s1
InChIKeyFCKYLLDXLZBCPG-GOSISDBHSA-N
XLogP3.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2-ethylbutanoyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 26408124
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-(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
(2R)-2-(2-hydroxyethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-1-carboxamide
CID 97434352
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 26403384) is (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide is CCCCNC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1.
What is the InChIKey of (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FCKYLLDXLZBCPG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-3-13-23-21(27)25-14-7-10-18(25)20(26)24-17-9-4-5-11-19(17)28-16-8-6-12-22-15-16/h4-6,8-9,11-12,15,18H,2-3,7,10,13-14H2,1H3,(H,23,27)(H,24,26)/t18-/m1/s1.
What are the key properties of (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-butyl-2-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 26403384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).