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

C24H36N4O — CID 141463745

IUPACN-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H36N4O/c1-14(2)20-13-21(25-19-6-4-3-5-7-19)27-28-23(20)24(29)26-22-17-9-15-8-16(11-17)12-18(22)10-15/h13-19,22H,3-12H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyPWCUENHBQZPGMX-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.90
Rot. Bonds5

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

N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463745) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463745
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC NameN-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H36N4O/c1-14(2)20-13-21(25-19-6-4-3-5-7-19)27-28-23(20)24(29)26-22-17-9-15-8-16(11-17)12-18(22)10-15/h13-19,22H,3-12H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyPWCUENHBQZPGMX-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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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide (CID 141463745) is N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(NC2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is PWCUENHBQZPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-14(2)20-13-21(25-19-6-4-3-5-7-19)27-28-23(20)24(29)26-22-17-9-15-8-16(11-17)12-18(22)10-15/h13-19,22H,3-12H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of N-(2-adamantyl)-6-(cyclohexylamino)-4-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-(cyclohexylamino)-4-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)-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).