N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide

C19H27N3O2 — CID 56721066

IUPACN-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCc1ccc(=O)[nH]n1
InChIInChI=1S/C19H27N3O2/c1-22(18(24)5-3-16-2-4-17(23)21-20-16)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2,4,13-15H,3,5-12H2,1H3,(H,21,23)
InChIKeyYOUPUWBQLGRPNC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.38
Rot. Bonds5

About N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide

N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide (PubChem CID 56721066) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide
PubChem CID56721066
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCc1ccc(=O)[nH]n1
InChIInChI=1S/C19H27N3O2/c1-22(18(24)5-3-16-2-4-17(23)21-20-16)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2,4,13-15H,3,5-12H2,1H3,(H,21,23)
InChIKeyYOUPUWBQLGRPNC-UHFFFAOYSA-N
XLogP2.38
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide (CID 56721066) is N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCc1ccc(=O)[nH]n1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
The InChIKey is YOUPUWBQLGRPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22(18(24)5-3-16-2-4-17(23)21-20-16)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2,4,13-15H,3,5-12H2,1H3,(H,21,23).
What are the key properties of N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-3-(6-oxo-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 56721066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).