1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate

C28H38N4O5 — CID 145267523

IUPAC1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC(NC=O)C2)C1.CNC(=O)c1cc(C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O2.C13H22N2O3/c1-11-8-13(14(18)16-2)15(19)17(9-11)10-12-6-4-3-5-7-12;1-12(2,3)18-11(17)15-10-6-13(7-10)4-9(5-13)14-8-16/h3-9H,10H2,1-2H3,(H,16,18);8-10H,4-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyYBDBEUYPYNWCKF-UHFFFAOYSA-N
MW510.64 g/mol
LogP3.13
Rot. Bonds6

About 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate

1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate (PubChem CID 145267523) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate.

Molecular Properties

Compound Name1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate
PubChem CID145267523
Molecular FormulaC28H38N4O5
Molecular Weight510.64 g/mol
Exact Mass510.28
IUPAC Name1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC(NC=O)C2)C1.CNC(=O)c1cc(C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C15H16N2O2.C13H22N2O3/c1-11-8-13(14(18)16-2)15(19)17(9-11)10-12-6-4-3-5-7-12;1-12(2,3)18-11(17)15-10-6-13(7-10)4-9(5-13)14-8-16/h3-9H,10H2,1-2H3,(H,16,18);8-10H,4-7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyYBDBEUYPYNWCKF-UHFFFAOYSA-N
XLogP3.13
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
tert-butyl 2-[3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]morpholine-4-carboxylate
CID 126721219
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
4-[[1-benzyl-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-formylamino]butanoic acid
CID 174906842
tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate
CID 58420812
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate?
The IUPAC name of 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate (CID 145267523) is 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate.
What is the SMILES notation for 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate?
The canonical SMILES for 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate is CC(C)(C)OC(=O)NC1CC2(CC(NC=O)C2)C1.CNC(=O)c1cc(C)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate?
The InChIKey is YBDBEUYPYNWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C13H22N2O3/c1-11-8-13(14(18)16-2)15(19)17(9-11)10-12-6-4-3-5-7-12;1-12(2,3)18-11(17)15-10-6-13(7-10)4-9(5-13)14-8-16/h3-9H,10H2,1-2H3,(H,16,18);8-10H,4-7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate?
1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate has a molecular weight of 510.64 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,5-dimethyl-2-oxopyridine-3-carboxamide;tert-butyl N-(6-formamidospiro[3.3]heptan-2-yl)carbamate is sourced from PubChem (CID 145267523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).