N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide

C18H24N4O2 — CID 90509599

IUPACN-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)nn1
InChIInChI=1S/C18H24N4O2/c1-5-22(6-2)14-8-9-15(13(4)12-14)19-18(23)16-10-11-17(21-20-16)24-7-3/h8-12H,5-7H2,1-4H3,(H,19,23)
InChIKeyXZDBJODLHHBLER-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.28
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide (PubChem CID 90509599) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
PubChem CID90509599
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)nn1
InChIInChI=1S/C18H24N4O2/c1-5-22(6-2)14-8-9-15(13(4)12-14)19-18(23)16-10-11-17(21-20-16)24-7-3/h8-12H,5-7H2,1-4H3,(H,19,23)
InChIKeyXZDBJODLHHBLER-UHFFFAOYSA-N
XLogP3.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113888
N-[4-(diethylamino)-2-methylphenyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116610
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764
N-(3,5-dimethylphenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509536
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289101
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222
6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 90509597

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide (CID 90509599) is N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)nn1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide?
The InChIKey is XZDBJODLHHBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-22(6-2)14-8-9-15(13(4)12-14)19-18(23)16-10-11-17(21-20-16)24-7-3/h8-12H,5-7H2,1-4H3,(H,19,23).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide is sourced from PubChem (CID 90509599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).