N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide

C28H33N5O2 — CID 156894331

IUPACN-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)C2CCCN2)C(C(=O)NCc2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C28H33N5O2/c1-28(2,3)22-10-12-23(13-11-22)33(27(35)24-9-6-16-31-24)25(21-8-5-15-30-19-21)26(34)32-18-20-7-4-14-29-17-20/h4-5,7-8,10-15,17,19,24-25,31H,6,9,16,18H2,1-3H3,(H,32,34)
InChIKeyOIYMULFSEXKEEK-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.92
Rot. Bonds7

About N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide

N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 156894331) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
PubChem CID156894331
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)C2CCCN2)C(C(=O)NCc2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C28H33N5O2/c1-28(2,3)22-10-12-23(13-11-22)33(27(35)24-9-6-16-31-24)25(21-8-5-15-30-19-21)26(34)32-18-20-7-4-14-29-17-20/h4-5,7-8,10-15,17,19,24-25,31H,6,9,16,18H2,1-3H3,(H,32,34)
InChIKeyOIYMULFSEXKEEK-UHFFFAOYSA-N
XLogP3.92
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-(oxetan-3-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894143
N-(4-tert-butylphenyl)-N-[2-(3-methoxypropylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894262
(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)-4-hydroxy-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-4-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156893435
(2R)-N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 166040275
N-(4-tert-butylphenyl)-N-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 166041009
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)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]thiomorpholine-3-carboxamide
CID 166040967
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide
CID 156906789
(2R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-4-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894217
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-phenylmethoxypyrrolidine-2-carboxamide
CID 166040188

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide (CID 156894331) is N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide is CC(C)(C)c1ccc(N(C(=O)C2CCCN2)C(C(=O)NCc2cccnc2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is OIYMULFSEXKEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-28(2,3)22-10-12-23(13-11-22)33(27(35)24-9-6-16-31-24)25(21-8-5-15-30-19-21)26(34)32-18-20-7-4-14-29-17-20/h4-5,7-8,10-15,17,19,24-25,31H,6,9,16,18H2,1-3H3,(H,32,34).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide?
N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156894331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).