N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide

C25H29N3O3 — CID 126569445

IUPACN-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C2CCC2)n1
InChIInChI=1S/C25H29N3O3/c1-15-11-17(12-21(27-15)19-5-4-6-19)14-26-23(30)20-9-7-18(8-10-20)16(2)25(3)13-22(29)28-24(25)31/h7-12,16,19H,4-6,13-14H2,1-3H3,(H,26,30)(H,28,29,31)/t16-,25+/m1/s1
InChIKeyKCXRARVKXIZHRH-CPJLOUKISA-N
MW419.53 g/mol
LogP3.74
Rot. Bonds6

About N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide

N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide (PubChem CID 126569445) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide
PubChem CID126569445
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C2CCC2)n1
InChIInChI=1S/C25H29N3O3/c1-15-11-17(12-21(27-15)19-5-4-6-19)14-26-23(30)20-9-7-18(8-10-20)16(2)25(3)13-22(29)28-24(25)31/h7-12,16,19H,4-6,13-14H2,1-3H3,(H,26,30)(H,28,29,31)/t16-,25+/m1/s1
InChIKeyKCXRARVKXIZHRH-CPJLOUKISA-N
XLogP3.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
Pyridine-2-carboxylic acid [3-(4-tert-butyl-benzoylamino)-propyl]-amide
CID 6490888
3-(4-tert-Butylbenzoylamino)-5-(pyridin-4-yl)-(1H)-pyridin-2-one
CID 11581044
(5-(Aminomethyl)-4-(4-fluorophenyl)-6-methylpyridin-2-yl)(pyrrolidin-1-yl)methanone
CID 51356958
6-benzyl-4-N-cyclopropyl-2-N-methylpyridine-2,4-dicarboxamide
CID 132167418
4-N-cyclopropyl-2-N-methyl-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185548
1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide
CID 138609066
6-benzyl-2-N,4-N-dimethylpyridine-2,4-dicarboxamide
CID 149962244
6-benzyl-4-N-ethyl-2-N-methylpyridine-2,4-dicarboxamide
CID 151280401
6-benzyl-2-N-methyl-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 152105256
5-Cyclopropyl-6-(4-fluoro-benzyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105630

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
The IUPAC name of N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide (CID 126569445) is N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide.
What is the SMILES notation for N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
The canonical SMILES for N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide is Cc1cc(CNC(=O)c2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cc2)cc(C2CCC2)n1.
What is the InChIKey of N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
The InChIKey is KCXRARVKXIZHRH-CPJLOUKISA-N. The full InChI is InChI=1S/C25H29N3O3/c1-15-11-17(12-21(27-15)19-5-4-6-19)14-26-23(30)20-9-7-18(8-10-20)16(2)25(3)13-22(29)28-24(25)31/h7-12,16,19H,4-6,13-14H2,1-3H3,(H,26,30)(H,28,29,31)/t16-,25+/m1/s1.
What are the key properties of N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide?
N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-6-methyl-4-pyridinyl)methyl]-4-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide is sourced from PubChem (CID 126569445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).