benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate

C24H24ClN3O4 — CID 55859296

IUPACbenzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate
SMILESO=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C24H24ClN3O4/c25-21-10-5-4-9-19(21)15-28-16-20(12-13-23(28)30)27-22(29)11-6-14-26-24(31)32-17-18-7-2-1-3-8-18/h1-5,7-10,12-13,16H,6,11,14-15,17H2,(H,26,31)(H,27,29)
InChIKeyZTAHQMWDAHJIKZ-UHFFFAOYSA-N
MW453.93 g/mol
LogP4.20
Rot. Bonds9

About benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate

benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate (PubChem CID 55859296) has the molecular formula C24H24ClN3O4 and a molecular weight of 453.93 g/mol. Its IUPAC name is benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate
PubChem CID55859296
Molecular FormulaC24H24ClN3O4
Molecular Weight453.93 g/mol
Exact Mass453.15
IUPAC Namebenzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate
SMILESO=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C24H24ClN3O4/c25-21-10-5-4-9-19(21)15-28-16-20(12-13-23(28)30)27-22(29)11-6-14-26-24(31)32-17-18-7-2-1-3-8-18/h1-5,7-10,12-13,16H,6,11,14-15,17H2,(H,26,31)(H,27,29)
InChIKeyZTAHQMWDAHJIKZ-UHFFFAOYSA-N
XLogP4.20
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 54.20
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

ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate
CID 47059053
7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride
CID 119723855
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55804301
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
CID 130157687
benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
CID 126005165
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
benzyl N-[3-(4-bromoanilino)-3-oxopropyl]carbamate
CID 165430807
benzyl N-[4-oxo-4-[3-(piperidine-1-carbonyl)anilino]butyl]carbamate
CID 55892585
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
2-[4-(phenylmethoxycarbonylamino)butanoylamino]ethanesulfonic acid
CID 45490396
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate?
The IUPAC name of benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate (CID 55859296) is benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate.
What is the SMILES notation for benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate?
The canonical SMILES for benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate is O=C(CCCNC(=O)OCc1ccccc1)Nc1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate?
The InChIKey is ZTAHQMWDAHJIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4/c25-21-10-5-4-9-19(21)15-28-16-20(12-13-23(28)30)27-22(29)11-6-14-26-24(31)32-17-18-7-2-1-3-8-18/h1-5,7-10,12-13,16H,6,11,14-15,17H2,(H,26,31)(H,27,29).
What are the key properties of benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate?
benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate has a molecular weight of 453.93 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 55859296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).