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

C22H32N4O — CID 141463725

IUPACN-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NCC2CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H32N4O/c1-12(2)18-10-19(23-11-13-3-4-13)25-26-21(18)22(27)24-20-16-6-14-5-15(8-16)9-17(20)7-14/h10,12-17,20H,3-9,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyILMKSEBSRHSGBV-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.98
Rot. Bonds6

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

N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463725) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463725
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC NameN-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NCC2CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H32N4O/c1-12(2)18-10-19(23-11-13-3-4-13)25-26-21(18)22(27)24-20-16-6-14-5-15(8-16)9-17(20)7-14/h10,12-17,20H,3-9,11H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyILMKSEBSRHSGBV-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.98
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
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
N-(2-adamantyl)-6-(butylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463746
N-cyclohexyl-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463751
N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463753

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide (CID 141463725) is N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(NCC2CC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is ILMKSEBSRHSGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-12(2)18-10-19(23-11-13-3-4-13)25-26-21(18)22(27)24-20-16-6-14-5-15(8-16)9-17(20)7-14/h10,12-17,20H,3-9,11H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-(cyclopropylmethylamino)-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).