tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate

C24H29N3O5 — CID 139538195

IUPACtert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2CC(=O)OC(C)(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H29N3O5/c1-24(2,3)32-20(28)12-16-11-19(16)26-21(29)17-10-18(22(30)25-4)23(31)27(14-17)13-15-8-6-5-7-9-15/h5-10,14,16,19H,11-13H2,1-4H3,(H,25,30)(H,26,29)/t16-,19+/m1/s1
InChIKeyPPLVAKCNKHRHKY-APWZRJJASA-N
MW439.51 g/mol
LogP2.11
Rot. Bonds7

About tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate

tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate (PubChem CID 139538195) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
PubChem CID139538195
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nametert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2CC(=O)OC(C)(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H29N3O5/c1-24(2,3)32-20(28)12-16-11-19(16)26-21(29)17-10-18(22(30)25-4)23(31)27(14-17)13-15-8-6-5-7-9-15/h5-10,14,16,19H,11-13H2,1-4H3,(H,25,30)(H,26,29)/t16-,19+/m1/s1
InChIKeyPPLVAKCNKHRHKY-APWZRJJASA-N
XLogP2.11
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676131
1-benzyl-5-N-[(1S,3R)-3-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323832
1-benzyl-5-[2-[(1S,2R)-2-[(dimethylamino)methyl]cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 159311932
1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676178
5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676868
5-N-[(1S,2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675277
1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676370
1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate
CID 145267523
N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 160757758

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate?
The IUPAC name of tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate (CID 139538195) is tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate.
What is the SMILES notation for tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate?
The canonical SMILES for tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate is CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2CC(=O)OC(C)(C)C)cn(Cc2ccccc2)c1=O.
What is the InChIKey of tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate?
The InChIKey is PPLVAKCNKHRHKY-APWZRJJASA-N. The full InChI is InChI=1S/C24H29N3O5/c1-24(2,3)32-20(28)12-16-11-19(16)26-21(29)17-10-18(22(30)25-4)23(31)27(14-17)13-15-8-6-5-7-9-15/h5-10,14,16,19H,11-13H2,1-4H3,(H,25,30)(H,26,29)/t16-,19+/m1/s1.
What are the key properties of tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate?
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate has a molecular weight of 439.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate is sourced from PubChem (CID 139538195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).