N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

C21H22N4O2 — CID 109118309

IUPACN-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C21H22N4O2/c1-14-5-4-6-16(11-14)13-22-20-10-8-17(24-25-20)21(26)23-18-12-15(2)7-9-19(18)27-3/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySUDIMMMQKRIFSQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118309) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118309
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C21H22N4O2/c1-14-5-4-6-16(11-14)13-22-20-10-8-17(24-25-20)21(26)23-18-12-15(2)7-9-19(18)27-3/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySUDIMMMQKRIFSQ-UHFFFAOYSA-N
XLogP3.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118337
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109113835
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
N-(2-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118339
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
5-(benzylamino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109279896
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129575
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118309) is N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(NCc2cccc(C)c2)nn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is SUDIMMMQKRIFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-5-4-6-16(11-14)13-22-20-10-8-17(24-25-20)21(26)23-18-12-15(2)7-9-19(18)27-3/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).