N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide

C22H32N4O2 — CID 141463730

IUPACN-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(N2CCOCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H32N4O2/c1-13(2)18-12-19(26-3-5-28-6-4-26)24-25-21(18)22(27)23-20-16-8-14-7-15(10-16)11-17(20)9-14/h12-17,20H,3-11H2,1-2H3,(H,23,27)
InChIKeyYKISSJXGQCARFI-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.99
Rot. Bonds4

About N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide

N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463730) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463730
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(N2CCOCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H32N4O2/c1-13(2)18-12-19(26-3-5-28-6-4-26)24-25-21(18)22(27)23-20-16-8-14-7-15(10-16)11-17(20)9-14/h12-17,20H,3-11H2,1-2H3,(H,23,27)
InChIKeyYKISSJXGQCARFI-UHFFFAOYSA-N
XLogP2.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide (CID 141463730) is N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(N2CCOCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is YKISSJXGQCARFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-13(2)18-12-19(26-3-5-28-6-4-26)24-25-21(18)22(27)23-20-16-8-14-7-15(10-16)11-17(20)9-14/h12-17,20H,3-11H2,1-2H3,(H,23,27).
What are the key properties of N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).