N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide

C23H34N4O — CID 141463760

IUPACN-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC2CCCC2)nnc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N4O/c1-14(2)19-10-20(24-18-5-3-4-6-18)26-27-21(19)22(28)25-23-11-15-7-16(12-23)9-17(8-15)13-23/h10,14-18H,3-9,11-13H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyBJHKUURXMYOROM-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.65
Rot. Bonds5

About N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide

N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463760) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463760
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC2CCCC2)nnc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H34N4O/c1-14(2)19-10-20(24-18-5-3-4-6-18)26-27-21(19)22(28)25-23-11-15-7-16(12-23)9-17(8-15)13-23/h10,14-18H,3-9,11-13H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyBJHKUURXMYOROM-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide (CID 141463760) is N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(NC2CCCC2)nnc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is BJHKUURXMYOROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-14(2)19-10-20(24-18-5-3-4-6-18)26-27-21(19)22(28)25-23-11-15-7-16(12-23)9-17(8-15)13-23/h10,14-18H,3-9,11-13H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide?
N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).