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

C23H34N4O — CID 141463736

IUPACN-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1NC1CCCC1
InChIInChI=1S/C23H34N4O/c1-13(2)19-12-20(26-27-22(19)24-18-5-3-4-6-18)23(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h12-18,21H,3-11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWWEBZVNOBCYIRZ-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.51
Rot. Bonds5

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

N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463736) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463736
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1NC1CCCC1
InChIInChI=1S/C23H34N4O/c1-13(2)19-12-20(26-27-22(19)24-18-5-3-4-6-18)23(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h12-18,21H,3-11H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWWEBZVNOBCYIRZ-UHFFFAOYSA-N
XLogP4.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.51
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-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide (CID 141463736) is N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1NC1CCCC1.
What is the InChIKey of N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is WWEBZVNOBCYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-13(2)19-12-20(26-27-22(19)24-18-5-3-4-6-18)23(28)25-21-16-8-14-7-15(10-16)11-17(21)9-14/h12-18,21H,3-11H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.51, 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-(cyclopentylamino)-5-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).