N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C18H22N4O4 — CID 37430350

IUPACN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C18H22N4O4/c1-3-19-17(24)13(2)20-18(25)15-9-10-16(23)22(21-15)11-12-26-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeySZRPJKVESIPUDE-ZDUSSCGKSA-N
MW358.40 g/mol
LogP0.58
Rot. Bonds8

About N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 37430350) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID37430350
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C18H22N4O4/c1-3-19-17(24)13(2)20-18(25)15-9-10-16(23)22(21-15)11-12-26-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeySZRPJKVESIPUDE-ZDUSSCGKSA-N
XLogP0.58
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505534
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
6-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 49395200

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 37430350) is N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is SZRPJKVESIPUDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-19-17(24)13(2)20-18(25)15-9-10-16(23)22(21-15)11-12-26-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)(H,20,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 37430350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).