N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

C21H23N5O2 — CID 152897009

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC12CC(C1)C2
InChIInChI=1S/C21H23N5O2/c27-18(24-21-8-14(9-21)10-21)12-26-19(28)4-2-16(25-26)15-1-3-17(22-11-15)23-20-5-13(6-20)7-20/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,27)
InChIKeyUEOUPWAFMAWOFE-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.94
Rot. Bonds6

About N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 152897009) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
PubChem CID152897009
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC12CC(C1)C2
InChIInChI=1S/C21H23N5O2/c27-18(24-21-8-14(9-21)10-21)12-26-19(28)4-2-16(25-26)15-1-3-17(22-11-15)23-20-5-13(6-20)7-20/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,27)
InChIKeyUEOUPWAFMAWOFE-UHFFFAOYSA-N
XLogP1.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide with MolForge

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Related Compounds

2-[3-[6-(2-bicyclo[2.2.0]hexanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
CID 170242747
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 148562605
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
CID 147150407
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7666096
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 71794946
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 52899588
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (CID 152897009) is N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC12CC(C1)C2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is UEOUPWAFMAWOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-18(24-21-8-14(9-21)10-21)12-26-19(28)4-2-16(25-26)15-1-3-17(22-11-15)23-20-5-13(6-20)7-20/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,27).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?
N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 152897009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).