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

C19H27N5O2 — CID 109113888

IUPACN-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NCCOC)nn2)c(C)c1
InChIInChI=1S/C19H27N5O2/c1-5-24(6-2)15-7-8-16(14(3)13-15)21-19(25)17-9-10-18(23-22-17)20-11-12-26-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,25)
InChIKeyVLRIIHRDGCGDSC-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.94
Rot. Bonds9

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

N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide (PubChem CID 109113888) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
PubChem CID109113888
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(NCCOC)nn2)c(C)c1
InChIInChI=1S/C19H27N5O2/c1-5-24(6-2)15-7-8-16(14(3)13-15)21-19(25)17-9-10-18(23-22-17)20-11-12-26-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,25)
InChIKeyVLRIIHRDGCGDSC-UHFFFAOYSA-N
XLogP2.94
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109113835
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 109361727
3-N-[4-(diethylamino)-2-methylphenyl]-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943468
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116610
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109151666
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide (CID 109113888) is N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(NCCOC)nn2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The InChIKey is VLRIIHRDGCGDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-5-24(6-2)15-7-8-16(14(3)13-15)21-19(25)17-9-10-18(23-22-17)20-11-12-26-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).