tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate

C25H29N5O5 — CID 135323903

IUPACtert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccc3c2ncn3C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C25H29N5O5/c1-25(2,3)35-24(34)30-14-27-20-15(7-5-10-19(20)30)12-29-13-16(21(31)28-17-8-6-9-17)11-18(23(29)33)22(32)26-4/h5,7,10-11,13-14,17H,6,8-9,12H2,1-4H3,(H,26,32)(H,28,31)
InChIKeyBMDVSDLARNEXLB-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.67
Rot. Bonds5

About tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate

tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate (PubChem CID 135323903) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate
PubChem CID135323903
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Nametert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccc3c2ncn3C(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C25H29N5O5/c1-25(2,3)35-24(34)30-14-27-20-15(7-5-10-19(20)30)12-29-13-16(21(31)28-17-8-6-9-17)11-18(23(29)33)22(32)26-4/h5,7,10-11,13-14,17H,6,8-9,12H2,1-4H3,(H,26,32)(H,28,31)
InChIKeyBMDVSDLARNEXLB-UHFFFAOYSA-N
XLogP2.67
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 139538189
5-N-cyclobutyl-1-[(4-methoxy-3-methylphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323934
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 126676097
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
1-benzyl-5-N-[(1S,3R)-3-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323832
5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538193
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195
1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
5-N-cyclopropyl-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538194
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 160751472
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 135323708
5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676861

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate (CID 135323903) is tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate is CNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccc3c2ncn3C(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate?
The InChIKey is BMDVSDLARNEXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-25(2,3)35-24(34)30-14-27-20-15(7-5-10-19(20)30)12-29-13-16(21(31)28-17-8-6-9-17)11-18(23(29)33)22(32)26-4/h5,7,10-11,13-14,17H,6,8-9,12H2,1-4H3,(H,26,32)(H,28,31).
What are the key properties of tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate?
tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate has a molecular weight of 479.54 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate is sourced from PubChem (CID 135323903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).