N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide

C16H18N4O3 — CID 53207412

IUPACN-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C16H18N4O3/c1-23-8-4-7-17-14(21)10-20-13-6-3-2-5-11(13)12-9-18-19-16(22)15(12)20/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,21)(H,19,22)
InChIKeySNZSVZSZMMIDDT-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.03
Rot. Bonds6

About N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide

N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide (PubChem CID 53207412) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
PubChem CID53207412
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C16H18N4O3/c1-23-8-4-7-17-14(21)10-20-13-6-3-2-5-11(13)12-9-18-19-16(22)15(12)20/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,21)(H,19,22)
InChIKeySNZSVZSZMMIDDT-UHFFFAOYSA-N
XLogP1.03
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207406
N-(3-ethoxypropyl)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043949
N-[3-(4-methylpiperazin-1-yl)propyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892927
N-[(2-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892914
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 98766541
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892915
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 53043961
(2R)-N-butyl-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide
CID 92668774
5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3H-pyridazino[4,5-b]indol-4-one
CID 92668689
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide (CID 53207412) is N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide is COCCCNC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The InChIKey is SNZSVZSZMMIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-8-4-7-17-14(21)10-20-13-6-3-2-5-11(13)12-9-18-19-16(22)15(12)20/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,21)(H,19,22).
What are the key properties of N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide has a molecular weight of 314.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide is sourced from PubChem (CID 53207412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).