4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

C21H21N5O2 — CID 53022880

IUPAC4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCn1ncc2c3ccccc3n(CCCC(=O)NCc3cccnc3)c2c1=O
InChIInChI=1S/C21H21N5O2/c1-25-21(28)20-17(14-24-25)16-7-2-3-8-18(16)26(20)11-5-9-19(27)23-13-15-6-4-10-22-12-15/h2-4,6-8,10,12,14H,5,9,11,13H2,1H3,(H,23,27)
InChIKeyNWKGPZWHIZKIGU-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.38
Rot. Bonds6

About 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 53022880) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID53022880
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCn1ncc2c3ccccc3n(CCCC(=O)NCc3cccnc3)c2c1=O
InChIInChI=1S/C21H21N5O2/c1-25-21(28)20-17(14-24-25)16-7-2-3-8-18(16)26(20)11-5-9-19(27)23-13-15-6-4-10-22-12-15/h2-4,6-8,10,12,14H,5,9,11,13H2,1H3,(H,23,27)
InChIKeyNWKGPZWHIZKIGU-UHFFFAOYSA-N
XLogP2.38
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide 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

4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 20892895
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]butanamide
CID 53022941
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53024449
N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53022912
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53043926
N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53024441
N-[(3-bromophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054997
5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53022874
N-[(1S)-1-(1-adamantyl)ethyl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 93052161
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 50815635
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892915

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 53022880) is 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is Cn1ncc2c3ccccc3n(CCCC(=O)NCc3cccnc3)c2c1=O.
What is the InChIKey of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is NWKGPZWHIZKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25-21(28)20-17(14-24-25)16-7-2-3-8-18(16)26(20)11-5-9-19(27)23-13-15-6-4-10-22-12-15/h2-4,6-8,10,12,14H,5,9,11,13H2,1H3,(H,23,27).
What are the key properties of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 375.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 53022880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).