(2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide

C18H21N5O3 — CID 99786707

IUPAC(2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCc3n[nH]c(=O)cc3C2)cc1
InChIInChI=1S/C18H21N5O3/c1-11(23-8-7-16-13(10-23)9-17(25)22-21-16)18(26)20-15-5-3-14(4-6-15)19-12(2)24/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,24)(H,20,26)(H,22,25)/t11-/m1/s1
InChIKeyGMXZCTWPMZGPDF-LLVKDONJSA-N
MW355.40 g/mol
LogP1.11
Rot. Bonds4

About (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide

(2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide (PubChem CID 99786707) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide
PubChem CID99786707
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCc3n[nH]c(=O)cc3C2)cc1
InChIInChI=1S/C18H21N5O3/c1-11(23-8-7-16-13(10-23)9-17(25)22-21-16)18(26)20-15-5-3-14(4-6-15)19-12(2)24/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,24)(H,20,26)(H,22,25)/t11-/m1/s1
InChIKeyGMXZCTWPMZGPDF-LLVKDONJSA-N
XLogP1.11
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280
(2R)-N-(4-acetylphenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 8513641
(2R)-N-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 8513842
N-(2-oxo-5,6-dihydro-3H-benzo[f]cinnolin-9-yl)acetamide
CID 10244077
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136756966
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 41367120
(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 8513659
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 95980822
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-2-hydroxybenzoic acid
CID 136557404
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9248397

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide (CID 99786707) is (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CCc3n[nH]c(=O)cc3C2)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide?
The InChIKey is GMXZCTWPMZGPDF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11(23-8-7-16-13(10-23)9-17(25)22-21-16)18(26)20-15-5-3-14(4-6-15)19-12(2)24/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,24)(H,20,26)(H,22,25)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide?
(2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)propanamide is sourced from PubChem (CID 99786707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).