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

C20H30N4O2 — CID 141463753

IUPACN-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NCCO)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30N4O2/c1-11(2)16-10-17(21-3-4-25)23-24-19(16)20(26)22-18-14-6-12-5-13(8-14)9-15(18)7-12/h10-15,18,25H,3-9H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyAIJUUVJUBFKTEF-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.56
Rot. Bonds6

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

N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 141463753) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID141463753
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NCCO)nnc1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30N4O2/c1-11(2)16-10-17(21-3-4-25)23-24-19(16)20(26)22-18-14-6-12-5-13(8-14)9-15(18)7-12/h10-15,18,25H,3-9H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyAIJUUVJUBFKTEF-UHFFFAOYSA-N
XLogP2.56
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide (CID 141463753) is N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(NCCO)nnc1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is AIJUUVJUBFKTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-11(2)16-10-17(21-3-4-25)23-24-19(16)20(26)22-18-14-6-12-5-13(8-14)9-15(18)7-12/h10-15,18,25H,3-9H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide?
N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-(2-hydroxyethylamino)-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 141463753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).