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

C21H30N4O — CID 141463754

IUPACN-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC2CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30N4O/c1-11(2)17-10-18(22-16-3-4-16)24-25-20(17)21(26)23-19-14-6-12-5-13(8-14)9-15(19)7-12/h10-16,19H,3-9H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyPKYRAZJVPDJVIL-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.73
Rot. Bonds5

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

N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463754) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463754
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC2CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30N4O/c1-11(2)17-10-18(22-16-3-4-16)24-25-20(17)21(26)23-19-14-6-12-5-13(8-14)9-15(19)7-12/h10-16,19H,3-9H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyPKYRAZJVPDJVIL-UHFFFAOYSA-N
XLogP3.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.73
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
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-cyclohexyl-6-morpholin-4-yl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463729
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-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide (CID 141463754) is N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(NC2CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is PKYRAZJVPDJVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-11(2)17-10-18(22-16-3-4-16)24-25-20(17)21(26)23-19-14-6-12-5-13(8-14)9-15(19)7-12/h10-16,19H,3-9H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.73, 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-(cyclopropylamino)-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).