N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide

C31H25N7O2 — CID 117086468

IUPACN-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2cn(-c3ccc(Nc4ccc5ncccc5c4)nn3)c3ccccc23)cc1
InChIInChI=1S/C31H25N7O2/c1-20(39)33-23-8-10-24(11-9-23)35-31(40)18-22-19-38(28-7-3-2-6-26(22)28)30-15-14-29(36-37-30)34-25-12-13-27-21(17-25)5-4-16-32-27/h2-17,19H,18H2,1H3,(H,33,39)(H,34,36)(H,35,40)
InChIKeyNBBIVFJMBQRIBL-UHFFFAOYSA-N
MW527.59 g/mol
LogP5.85
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide

N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide (PubChem CID 117086468) has the molecular formula C31H25N7O2 and a molecular weight of 527.59 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
PubChem CID117086468
Molecular FormulaC31H25N7O2
Molecular Weight527.59 g/mol
Exact Mass527.21
IUPAC NameN-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2cn(-c3ccc(Nc4ccc5ncccc5c4)nn3)c3ccccc23)cc1
InChIInChI=1S/C31H25N7O2/c1-20(39)33-23-8-10-24(11-9-23)35-31(40)18-22-19-38(28-7-3-2-6-26(22)28)30-15-14-29(36-37-30)34-25-12-13-27-21(17-25)5-4-16-32-27/h2-17,19H,18H2,1H3,(H,33,39)(H,34,36)(H,35,40)
InChIKeyNBBIVFJMBQRIBL-UHFFFAOYSA-N
XLogP5.85
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117088753
2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide
CID 117092988
2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide
CID 117085115
N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide
CID 117082923
2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117086977
2-[1-[6-(isoquinolin-1-ylamino)pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117089055
2-[1-[6-[(1-methylbenzimidazol-2-yl)amino]pyridazin-3-yl]indol-3-yl]-N-(2-phenoxyethyl)acetamide
CID 117093374
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
2-[1-(6-chloropyridazin-3-yl)indol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 117093126
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-[2-[di(propan-2-yl)amino]ethyl]-2-[1-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117086666
N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117088263

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide (CID 117086468) is N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cc2cn(-c3ccc(Nc4ccc5ncccc5c4)nn3)c3ccccc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The InChIKey is NBBIVFJMBQRIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N7O2/c1-20(39)33-23-8-10-24(11-9-23)35-31(40)18-22-19-38(28-7-3-2-6-26(22)28)30-15-14-29(36-37-30)34-25-12-13-27-21(17-25)5-4-16-32-27/h2-17,19H,18H2,1H3,(H,33,39)(H,34,36)(H,35,40).
What are the key properties of N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide?
N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide has a molecular weight of 527.59 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide is sourced from PubChem (CID 117086468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).