1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C24H29N5O3 — CID 55968667

IUPAC1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)CC2=O)c1C
InChIInChI=1S/C24H29N5O3/c1-15-5-3-7-20(16(15)2)29-14-18(11-22(29)30)24(32)27-19-8-9-21(26-12-19)28-10-4-6-17(13-28)23(25)31/h3,5,7-9,12,17-18H,4,6,10-11,13-14H2,1-2H3,(H2,25,31)(H,27,32)
InChIKeyFHVPQVXZDKXYRL-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.39
Rot. Bonds5

About 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55968667) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55968667
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)CC2=O)c1C
InChIInChI=1S/C24H29N5O3/c1-15-5-3-7-20(16(15)2)29-14-18(11-22(29)30)24(32)27-19-8-9-21(26-12-19)28-10-4-6-17(13-28)23(25)31/h3,5,7-9,12,17-18H,4,6,10-11,13-14H2,1-2H3,(H2,25,31)(H,27,32)
InChIKeyFHVPQVXZDKXYRL-UHFFFAOYSA-N
XLogP2.39
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700993
1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970205
1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970597
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509
1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51147058
N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 55483902
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006
(3S)-1-(2,3-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 40741530
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55968667) is 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)CC2=O)c1C.
What is the InChIKey of 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is FHVPQVXZDKXYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15-5-3-7-20(16(15)2)29-14-18(11-22(29)30)24(32)27-19-8-9-21(26-12-19)28-10-4-6-17(13-28)23(25)31/h3,5,7-9,12,17-18H,4,6,10-11,13-14H2,1-2H3,(H2,25,31)(H,27,32).
What are the key properties of 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55968667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).