2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide

C16H23N5O3 — CID 95781787

IUPAC2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCn1nc2c(cc1=O)CN(CC(=O)N[C@@H]1CCCCNC1=O)CC2
InChIInChI=1S/C16H23N5O3/c1-20-15(23)8-11-9-21(7-5-12(11)19-20)10-14(22)18-13-4-2-3-6-17-16(13)24/h8,13H,2-7,9-10H2,1H3,(H,17,24)(H,18,22)/t13-/m1/s1
InChIKeyGKHZZSWLXDFVHR-CYBMUJFWSA-N
MW333.39 g/mol
LogP-1.08
Rot. Bonds3

About 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide

2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide (PubChem CID 95781787) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide
PubChem CID95781787
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCn1nc2c(cc1=O)CN(CC(=O)N[C@@H]1CCCCNC1=O)CC2
InChIInChI=1S/C16H23N5O3/c1-20-15(23)8-11-9-21(7-5-12(11)19-20)10-14(22)18-13-4-2-3-6-17-16(13)24/h8,13H,2-7,9-10H2,1H3,(H,17,24)(H,18,22)/t13-/m1/s1
InChIKeyGKHZZSWLXDFVHR-CYBMUJFWSA-N
XLogP-1.08
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide 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

2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 62837563
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 124840360
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 120849480
2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124840329
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 60509494
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 95781751
methyl 3-[(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)methyl]thiophene-2-carboxylate
CID 71971937
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
CID 120849479
N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
CID 97147991
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94083747
N-(2,5-dimethylpyrazol-3-yl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
CID 71926452

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide (CID 95781787) is 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide is Cn1nc2c(cc1=O)CN(CC(=O)N[C@@H]1CCCCNC1=O)CC2.
What is the InChIKey of 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The InChIKey is GKHZZSWLXDFVHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-20-15(23)8-11-9-21(7-5-12(11)19-20)10-14(22)18-13-4-2-3-6-17-16(13)24/h8,13H,2-7,9-10H2,1H3,(H,17,24)(H,18,22)/t13-/m1/s1.
What are the key properties of 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 95781787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).