1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C22H27N3O2 — CID 78770732

IUPAC1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)N(C)Cc2cccnc2)CC1=O
InChIInChI=1S/C22H27N3O2/c1-4-16(2)19-9-5-6-10-20(19)25-15-18(12-21(25)26)22(27)24(3)14-17-8-7-11-23-13-17/h5-11,13,16,18H,4,12,14-15H2,1-3H3
InChIKeyZGUFILPPEFGIDH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.61
Rot. Bonds6

About 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 78770732) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID78770732
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)N(C)Cc2cccnc2)CC1=O
InChIInChI=1S/C22H27N3O2/c1-4-16(2)19-9-5-6-10-20(19)25-15-18(12-21(25)26)22(27)24(3)14-17-8-7-11-23-13-17/h5-11,13,16,18H,4,12,14-15H2,1-3H3
InChIKeyZGUFILPPEFGIDH-UHFFFAOYSA-N
XLogP3.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butan-2-ylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792687
3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119232628
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-butan-2-ylphenyl)pyrrolidin-2-one
CID 47004549
S-[2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576735
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266491
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
methyl 2-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoate
CID 55343911

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 78770732) is 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCC(C)c1ccccc1N1CC(C(=O)N(C)Cc2cccnc2)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZGUFILPPEFGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-16(2)19-9-5-6-10-20(19)25-15-18(12-21(25)26)22(27)24(3)14-17-8-7-11-23-13-17/h5-11,13,16,18H,4,12,14-15H2,1-3H3.
What are the key properties of 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78770732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).