N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C18H24ClN3O2 — CID 75493361

IUPACN-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCC23CC4CC(CC(Cl)(C4)C2)C3)c1C
InChIInChI=1S/C18H24ClN3O2/c1-10-11(2)21-22-16(24)14(10)15(23)20-9-17-4-12-3-13(5-17)7-18(19,6-12)8-17/h12-13H,3-9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyGWOGKDPEDHEDST-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.69
Rot. Bonds3

About N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 75493361) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID75493361
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCC23CC4CC(CC(Cl)(C4)C2)C3)c1C
InChIInChI=1S/C18H24ClN3O2/c1-10-11(2)21-22-16(24)14(10)15(23)20-9-17-4-12-3-13(5-17)7-18(19,6-12)8-17/h12-13H,3-9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyGWOGKDPEDHEDST-UHFFFAOYSA-N
XLogP2.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 75493361) is N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCC23CC4CC(CC(Cl)(C4)C2)C3)c1C.
What is the InChIKey of N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is GWOGKDPEDHEDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-10-11(2)21-22-16(24)14(10)15(23)20-9-17-4-12-3-13(5-17)7-18(19,6-12)8-17/h12-13H,3-9H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1-adamantyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 75493361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).