N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide

C24H36N4O — CID 141463770

IUPACN-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1NC1CCCCC1
InChIInChI=1S/C24H36N4O/c1-14(2)20-13-21(27-28-23(20)25-19-6-4-3-5-7-19)24(29)26-22-17-9-15-8-16(11-17)12-18(22)10-15/h13-19,22H,3-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVTWLYJBFMOATFG-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.90
Rot. Bonds5

About N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide

N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463770) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463770
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1NC1CCCCC1
InChIInChI=1S/C24H36N4O/c1-14(2)20-13-21(27-28-23(20)25-19-6-4-3-5-7-19)24(29)26-22-17-9-15-8-16(11-17)12-18(22)10-15/h13-19,22H,3-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyVTWLYJBFMOATFG-UHFFFAOYSA-N
XLogP4.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-METHYLCYCLOHEXANECARBONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11338533
6-[4-(2,5-DIMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11350306
6-[4-(2-TRIFLUOROMETHYLBENZYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16733788
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-PHENYLPROPYL)AMIDE
CID 67011239
N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463725
N-(2-adamantyl)-6-(butylamino)-5-propan-2-ylpyridazine-3-carboxamide
CID 141463726
N-(1-adamantyl)-6-morpholin-4-yl-5-propan-2-ylpyridazine-3-carboxamide
CID 141463728
N-(2-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463730
N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide
CID 141463736
N-(1-adamantyl)-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463743
N-(2-adamantyl)-6-piperidin-1-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463744
N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463745

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide (CID 141463770) is N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1NC1CCCCC1.
What is the InChIKey of N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is VTWLYJBFMOATFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-14(2)20-13-21(27-28-23(20)25-19-6-4-3-5-7-19)24(29)26-22-17-9-15-8-16(11-17)12-18(22)10-15/h13-19,22H,3-12H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-(cyclohexylamino)-5-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).