tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate

C23H30ClN3O4 — CID 59362456

IUPACtert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H30ClN3O4/c1-23(2,3)31-22(30)26-13-6-4-5-12-25-20(28)19-11-8-14-27(21(19)29)16-17-9-7-10-18(24)15-17/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyUVEXADZLFCWFKM-UHFFFAOYSA-N
MW447.96 g/mol
LogP3.97
Rot. Bonds9

About tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate

tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate (PubChem CID 59362456) has the molecular formula C23H30ClN3O4 and a molecular weight of 447.96 g/mol. Its IUPAC name is tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate
PubChem CID59362456
Molecular FormulaC23H30ClN3O4
Molecular Weight447.96 g/mol
Exact Mass447.19
IUPAC Nametert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H30ClN3O4/c1-23(2,3)31-22(30)26-13-6-4-5-12-25-20(28)19-11-8-14-27(21(19)29)16-17-9-7-10-18(24)15-17/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyUVEXADZLFCWFKM-UHFFFAOYSA-N
XLogP3.97
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-[5-[(4-methoxypyrimidin-2-yl)amino]pentyl]-2-oxopyridine-3-carboxamide
CID 59362459
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86845813
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
tert-butyl N-(6-aminohex-3-ynyl)carbamate;tert-butyl N-[6-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]hex-3-ynyl]carbamate;1-[(3-chlorophenyl)methyl]-N-[7-(4-methoxypyrimidin-2-yl)hept-3-ynyl]-2-oxopyridine-3-carboxamide;1,6-diazidohex-3-yne;hex-3-yne-1,6-diamine;hex-3-yne-1,6-diol
CID 158251380
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342
tert-butyl N-[(5S)-5-amino-6-[(3-chlorophenyl)methylamino]-6-oxohexyl]carbamate
CID 118899202

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate (CID 59362456) is tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O.
What is the InChIKey of tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate?
The InChIKey is UVEXADZLFCWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4/c1-23(2,3)31-22(30)26-13-6-4-5-12-25-20(28)19-11-8-14-27(21(19)29)16-17-9-7-10-18(24)15-17/h7-11,14-15H,4-6,12-13,16H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate?
tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate has a molecular weight of 447.96 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate is sourced from PubChem (CID 59362456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).