2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide

C19H22N4O3 — CID 70730545

IUPAC2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)Cc3cc(=O)[nH][nH]c3=O)cc(C)cc2c1C
InChIInChI=1S/C19H22N4O3/c1-4-15-11(3)14-6-10(2)5-13(18(14)21-15)9-20-16(24)7-12-8-17(25)22-23-19(12)26/h5-6,8,21H,4,7,9H2,1-3H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeySTIBGKVLCMKOMA-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.58
Rot. Bonds5

About 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 70730545) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
PubChem CID70730545
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)Cc3cc(=O)[nH][nH]c3=O)cc(C)cc2c1C
InChIInChI=1S/C19H22N4O3/c1-4-15-11(3)14-6-10(2)5-13(18(14)21-15)9-20-16(24)7-12-8-17(25)22-23-19(12)26/h5-6,8,21H,4,7,9H2,1-3H3,(H,20,24)(H,22,25)(H,23,26)
InChIKeySTIBGKVLCMKOMA-UHFFFAOYSA-N
XLogP1.58
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95552184
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861427
(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide
CID 95445277
(6S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95426783
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 56866510
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 95551283
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 56878713
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 42309035
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 56874343
4-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]pyrimidine-4,6-diamine
CID 56867744
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide (CID 70730545) is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide is CCc1[nH]c2c(CNC(=O)Cc3cc(=O)[nH][nH]c3=O)cc(C)cc2c1C.
What is the InChIKey of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is STIBGKVLCMKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-15-11(3)14-6-10(2)5-13(18(14)21-15)9-20-16(24)7-12-8-17(25)22-23-19(12)26/h5-6,8,21H,4,7,9H2,1-3H3,(H,20,24)(H,22,25)(H,23,26).
What are the key properties of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 70730545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).