(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide

C26H34N4O3 — CID 166040275

IUPAC(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)[C@H]2CCCN2)C(C(=O)N2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)20-8-10-21(11-9-20)30(24(31)22-7-5-13-28-22)23(19-6-4-12-27-18-19)25(32)29-14-16-33-17-15-29/h4,6,8-12,18,22-23,28H,5,7,13-17H2,1-3H3/t22-,23?/m1/s1
InChIKeyGYKKBIOBPZHDMV-WTQRLHSKSA-N
MW450.58 g/mol
LogP3.06
Rot. Bonds5

About (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide

(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 166040275) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
PubChem CID166040275
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)[C@H]2CCCN2)C(C(=O)N2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)20-8-10-21(11-9-20)30(24(31)22-7-5-13-28-22)23(19-6-4-12-27-18-19)25(32)29-14-16-33-17-15-29/h4,6,8-12,18,22-23,28H,5,7,13-17H2,1-3H3/t22-,23?/m1/s1
InChIKeyGYKKBIOBPZHDMV-WTQRLHSKSA-N
XLogP3.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 166041009
(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040656
N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040473
N-(4-tert-butylphenyl)-1-cyano-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 156894097
N-(4-tert-butylphenyl)-N-[2-(oxetan-3-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894143
N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894331
(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040279
N-(4-tert-butylphenyl)-N-[2-(3-methoxypropylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894262
(2R)-N-[2-(azetidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-cyanopyrrolidine-2-carboxamide
CID 156894702
2-[(4-tert-butylphenyl)-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 166791221
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]thiomorpholine-3-carboxamide
CID 166040967
(2R)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-oxopyrrolidine-2-carboxamide
CID 166040529

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide (CID 166040275) is (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide is CC(C)(C)c1ccc(N(C(=O)[C@H]2CCCN2)C(C(=O)N2CCOCC2)c2cccnc2)cc1.
What is the InChIKey of (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is GYKKBIOBPZHDMV-WTQRLHSKSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(2,3)20-8-10-21(11-9-20)30(24(31)22-7-5-13-28-22)23(19-6-4-12-27-18-19)25(32)29-14-16-33-17-15-29/h4,6,8-12,18,22-23,28H,5,7,13-17H2,1-3H3/t22-,23?/m1/s1.
What are the key properties of (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166040275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).