N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide

C18H22N6O2 — CID 129135995

IUPACN-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CCC[C@@H](c3ccc(NC(C)=O)nn3)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-11(25)19-17-8-6-15(21-23-17)13-4-3-5-14(10-13)16-7-9-18(24-22-16)20-12(2)26/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,23,25)(H,20,24,26)/t13-,14-/m1/s1
InChIKeyYZELSSJQDSPNPP-ZIAGYGMSSA-N
MW354.41 g/mol
LogP2.62
Rot. Bonds4

About N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide

N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129135995) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
PubChem CID129135995
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2CCC[C@@H](c3ccc(NC(C)=O)nn3)C2)nn1
InChIInChI=1S/C18H22N6O2/c1-11(25)19-17-8-6-15(21-23-17)13-4-3-5-14(10-13)16-7-9-18(24-22-16)20-12(2)26/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,23,25)(H,20,24,26)/t13-,14-/m1/s1
InChIKeyYZELSSJQDSPNPP-ZIAGYGMSSA-N
XLogP2.62
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide (CID 129135995) is N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide is CC(=O)Nc1ccc([C@@H]2CCC[C@@H](c3ccc(NC(C)=O)nn3)C2)nn1.
What is the InChIKey of N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide?
The InChIKey is YZELSSJQDSPNPP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(25)19-17-8-6-15(21-23-17)13-4-3-5-14(10-13)16-7-9-18(24-22-16)20-12(2)26/h6-9,13-14H,3-5,10H2,1-2H3,(H,19,23,25)(H,20,24,26)/t13-,14-/m1/s1.
What are the key properties of N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide?
N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129135995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).