ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate

C18H20ClN3O4 — CID 47059053

IUPACethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O4/c1-2-26-18(25)20-10-9-16(23)21-14-7-8-17(24)22(12-14)11-13-5-3-4-6-15(13)19/h3-8,12H,2,9-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyKQBHSKRXVCYAKV-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.62
Rot. Bonds7

About ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate

ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate (PubChem CID 47059053) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate
PubChem CID47059053
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Nameethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O4/c1-2-26-18(25)20-10-9-16(23)21-14-7-8-17(24)22(12-14)11-13-5-3-4-6-15(13)19/h3-8,12H,2,9-11H2,1H3,(H,20,25)(H,21,23)
InChIKeyKQBHSKRXVCYAKV-UHFFFAOYSA-N
XLogP2.62
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[4-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-4-oxobutyl]carbamate
CID 55859296
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
(2S)-2-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-methylpentanamide;hydrochloride
CID 119723887
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide
CID 55804143
ethyl N-[3-[4-(2-methylpropanoylamino)anilino]-3-oxopropyl]carbamate
CID 46427395
ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
CID 108897797
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55804395
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
CID 87005498
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 46494483
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55804071
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 55804557

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate (CID 47059053) is ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate?
The InChIKey is KQBHSKRXVCYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-2-26-18(25)20-10-9-16(23)21-14-7-8-17(24)22(12-14)11-13-5-3-4-6-15(13)19/h3-8,12H,2,9-11H2,1H3,(H,20,25)(H,21,23).
What are the key properties of ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate?
ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate has a molecular weight of 377.83 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 47059053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).