N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C21H25N3O2 — CID 113184031

IUPACN-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CC(=O)N(Cc3cccnc3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)17-6-8-18(9-7-17)23-20(26)16-11-19(25)24(14-16)13-15-5-4-10-22-12-15/h4-10,12,16H,11,13-14H2,1-3H3,(H,23,26)
InChIKeyTVOFSOIGDGMACG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.37
Rot. Bonds4

About N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113184031) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113184031
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CC(=O)N(Cc3cccnc3)C2)cc1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)17-6-8-18(9-7-17)23-20(26)16-11-19(25)24(14-16)13-15-5-4-10-22-12-15/h4-10,12,16H,11,13-14H2,1-3H3,(H,23,26)
InChIKeyTVOFSOIGDGMACG-UHFFFAOYSA-N
XLogP3.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46970976
N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183459
N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 165117378
N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72860084
5-oxo-N-(5-propyl-1H-1,2,4-triazol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 156585451
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 95199237
(3R)-5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 95199236
5-oxo-1-(pyridin-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 56705212
1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 113184031) is N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CC(=O)N(Cc3cccnc3)C2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is TVOFSOIGDGMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,3)17-6-8-18(9-7-17)23-20(26)16-11-19(25)24(14-16)13-15-5-4-10-22-12-15/h4-10,12,16H,11,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113184031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).