5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide

C23H28N4O2 — CID 55587877

IUPAC5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)Nc3ccc(N4CCCC4)cn3)CC2=O)c1
InChIInChI=1S/C23H28N4O2/c1-16(2)17-6-5-7-19(12-17)27-15-18(13-22(27)28)23(29)25-21-9-8-20(14-24-21)26-10-3-4-11-26/h5-9,12,14,16,18H,3-4,10-11,13,15H2,1-2H3,(H,24,25,29)
InChIKeyLDPSDFOSFIIFGR-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.80
Rot. Bonds5

About 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide

5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 55587877) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID55587877
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)Nc3ccc(N4CCCC4)cn3)CC2=O)c1
InChIInChI=1S/C23H28N4O2/c1-16(2)17-6-5-7-19(12-17)27-15-18(13-22(27)28)23(29)25-21-9-8-20(14-24-21)26-10-3-4-11-26/h5-9,12,14,16,18H,3-4,10-11,13,15H2,1-2H3,(H,24,25,29)
InChIKeyLDPSDFOSFIIFGR-UHFFFAOYSA-N
XLogP3.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947153
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898745
N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55711817
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43054423
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898741
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947590

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide (CID 55587877) is 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(N2CC(C(=O)Nc3ccc(N4CCCC4)cn3)CC2=O)c1.
What is the InChIKey of 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is LDPSDFOSFIIFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)17-6-5-7-19(12-17)27-15-18(13-22(27)28)23(29)25-21-9-8-20(14-24-21)26-10-3-4-11-26/h5-9,12,14,16,18H,3-4,10-11,13,15H2,1-2H3,(H,24,25,29).
What are the key properties of 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide?
5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3-propan-2-ylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55587877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).