N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide

C24H25N5O2 — CID 53207408

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
SMILESO=C(Cn1c2ccccc2c2cn[nH]c(=O)c21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25N5O2/c30-22(26-18-10-12-28(13-11-18)15-17-6-2-1-3-7-17)16-29-21-9-5-4-8-19(21)20-14-25-27-24(31)23(20)29/h1-9,14,18H,10-13,15-16H2,(H,26,30)(H,27,31)
InChIKeyBRZCSRAXNUYHSA-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.66
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide (PubChem CID 53207408) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
PubChem CID53207408
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
SMILESO=C(Cn1c2ccccc2c2cn[nH]c(=O)c21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H25N5O2/c30-22(26-18-10-12-28(13-11-18)15-17-6-2-1-3-7-17)16-29-21-9-5-4-8-19(21)20-14-25-27-24(31)23(20)29/h1-9,14,18H,10-13,15-16H2,(H,26,30)(H,27,31)
InChIKeyBRZCSRAXNUYHSA-UHFFFAOYSA-N
XLogP2.66
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 53043934
2-[3-(benzenesulfonyl)-2-oxobenzimidazol-1-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 42792950
N-(1-benzylpiperidin-4-yl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378633
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 6623641
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054967
N-(1-benzylpyrrolidin-3-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide (CID 53207408) is N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide is O=C(Cn1c2ccccc2c2cn[nH]c(=O)c21)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The InChIKey is BRZCSRAXNUYHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-22(26-18-10-12-28(13-11-18)15-17-6-2-1-3-7-17)16-29-21-9-5-4-8-19(21)20-14-25-27-24(31)23(20)29/h1-9,14,18H,10-13,15-16H2,(H,26,30)(H,27,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide has a molecular weight of 415.50 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide is sourced from PubChem (CID 53207408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).