N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide

C27H31N5O2 — CID 53022912

IUPACN-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
SMILESCn1ncc2c3ccccc3n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1=O
InChIInChI=1S/C27H31N5O2/c1-30-27(34)26-23(18-28-30)22-10-5-6-11-24(22)32(26)15-7-12-25(33)29-21-13-16-31(17-14-21)19-20-8-3-2-4-9-20/h2-6,8-11,18,21H,7,12-17,19H2,1H3,(H,29,33)
InChIKeySVPMXMWVQMIHIE-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.45
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide

N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide (PubChem CID 53022912) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
PubChem CID53022912
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
SMILESCn1ncc2c3ccccc3n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1=O
InChIInChI=1S/C27H31N5O2/c1-30-27(34)26-23(18-28-30)22-10-5-6-11-24(22)32(26)15-7-12-25(33)29-21-13-16-31(17-14-21)19-20-8-3-2-4-9-20/h2-6,8-11,18,21H,7,12-17,19H2,1H3,(H,29,33)
InChIKeySVPMXMWVQMIHIE-UHFFFAOYSA-N
XLogP3.45
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide with MolForge

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Related Compounds

N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043934
N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054967
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 53022880
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 53054980
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 46247600
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 24792813
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide
CID 93052166
5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53022874
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 6623641
N-[(1S)-1-(1-adamantyl)ethyl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 93052161

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide (CID 53022912) is N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide is Cn1ncc2c3ccccc3n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2c1=O.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?
The InChIKey is SVPMXMWVQMIHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-30-27(34)26-23(18-28-30)22-10-5-6-11-24(22)32(26)15-7-12-25(33)29-21-13-16-31(17-14-21)19-20-8-3-2-4-9-20/h2-6,8-11,18,21H,7,12-17,19H2,1H3,(H,29,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide?
N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide has a molecular weight of 457.58 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide is sourced from PubChem (CID 53022912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).