N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C24H29N5O3 — CID 135833599

IUPACN-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCC(C)N(CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)Cc1ccco1
InChIInChI=1S/C24H29N5O3/c1-3-17(2)28(15-18-8-6-13-32-18)12-7-11-25-22(30)16-29-24(31)23-20(14-26-29)19-9-4-5-10-21(19)27-23/h4-6,8-10,13-14,17,27H,3,7,11-12,15-16H2,1-2H3,(H,25,30)
InChIKeySJHZLVJHVNYDMI-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.28
Rot. Bonds10

About N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833599) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135833599
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCCC(C)N(CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)Cc1ccco1
InChIInChI=1S/C24H29N5O3/c1-3-17(2)28(15-18-8-6-13-32-18)12-7-11-25-22(30)16-29-24(31)23-20(14-26-29)19-9-4-5-10-21(19)27-23/h4-6,8-10,13-14,17,27H,3,7,11-12,15-16H2,1-2H3,(H,25,30)
InChIKeySJHZLVJHVNYDMI-UHFFFAOYSA-N
XLogP3.28
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833597
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 135410394
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 135833535
N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949240
N-[3-[cyclopentyl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912893
N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833637
N-[[5-[[(2R)-2-ethylpiperidin-1-yl]methyl]furan-2-yl]methyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 136826975
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-(3-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833575
N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833634
N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833636
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616

Frequently Asked Questions

What is the IUPAC name of N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833599) is N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is CCC(C)N(CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)Cc1ccco1.
What is the InChIKey of N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is SJHZLVJHVNYDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-17(2)28(15-18-8-6-13-32-18)12-7-11-25-22(30)16-29-24(31)23-20(14-26-29)19-9-4-5-10-21(19)27-23/h4-6,8-10,13-14,17,27H,3,7,11-12,15-16H2,1-2H3,(H,25,30).
What are the key properties of N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butan-2-yl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).