N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide

C27H29N7O2 — CID 117088851

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2ccc(NCc3cccnc3)nn2)c2ccccc12)NCCCN1CCCC1=O
InChIInChI=1S/C27H29N7O2/c35-26(29-13-5-15-33-14-4-9-27(33)36)16-21-19-34(23-8-2-1-7-22(21)23)25-11-10-24(31-32-25)30-18-20-6-3-12-28-17-20/h1-3,6-8,10-12,17,19H,4-5,9,13-16,18H2,(H,29,35)(H,30,31)
InChIKeyQNWXUAIUYNLXAR-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.10
Rot. Bonds10

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide (PubChem CID 117088851) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide
PubChem CID117088851
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide
SMILESO=C(Cc1cn(-c2ccc(NCc3cccnc3)nn2)c2ccccc12)NCCCN1CCCC1=O
InChIInChI=1S/C27H29N7O2/c35-26(29-13-5-15-33-14-4-9-27(33)36)16-21-19-34(23-8-2-1-7-22(21)23)25-11-10-24(31-32-25)30-18-20-6-3-12-28-17-20/h1-3,6-8,10-12,17,19H,4-5,9,13-16,18H2,(H,29,35)(H,30,31)
InChIKeyQNWXUAIUYNLXAR-UHFFFAOYSA-N
XLogP3.10
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-[1-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridazin-3-yl]indol-3-yl]acetamide
CID 117087098
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 53144349
N-(2-phenoxyethyl)-2-[1-[6-(pyrazin-2-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117088263
1-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide
CID 158346667
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 44998685
1-[3-[[9-phenyl-2-(pyridin-3-ylmethylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117092103
2-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802483
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
N-[2-(4-hydroxyphenyl)ethyl]-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117088753

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide (CID 117088851) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide is O=C(Cc1cn(-c2ccc(NCc3cccnc3)nn2)c2ccccc12)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide?
The InChIKey is QNWXUAIUYNLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c35-26(29-13-5-15-33-14-4-9-27(33)36)16-21-19-34(23-8-2-1-7-22(21)23)25-11-10-24(31-32-25)30-18-20-6-3-12-28-17-20/h1-3,6-8,10-12,17,19H,4-5,9,13-16,18H2,(H,29,35)(H,30,31).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide has a molecular weight of 483.58 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[1-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]indol-3-yl]acetamide is sourced from PubChem (CID 117088851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).