N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide

C22H32N4O2 — CID 141463728

IUPACN-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1N1CCOCC1
InChIInChI=1S/C22H32N4O2/c1-14(2)18-10-19(24-25-20(18)26-3-5-28-6-4-26)21(27)23-22-11-15-7-16(12-22)9-17(8-15)13-22/h10,14-17H,3-9,11-13H2,1-2H3,(H,23,27)
InChIKeyDWCONNWGXXJPNM-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.14
Rot. Bonds4

About N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide

N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463728) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463728
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1N1CCOCC1
InChIInChI=1S/C22H32N4O2/c1-14(2)18-10-19(24-25-20(18)26-3-5-28-6-4-26)21(27)23-22-11-15-7-16(12-22)9-17(8-15)13-22/h10,14-17H,3-9,11-13H2,1-2H3,(H,23,27)
InChIKeyDWCONNWGXXJPNM-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide (CID 141463728) is N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)nnc1N1CCOCC1.
What is the InChIKey of N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is DWCONNWGXXJPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-14(2)18-10-19(24-25-20(18)26-3-5-28-6-4-26)21(27)23-22-11-15-7-16(12-22)9-17(8-15)13-22/h10,14-17H,3-9,11-13H2,1-2H3,(H,23,27).
What are the key properties of N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide?
N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).