N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide

C21H22N4O2 — CID 109128208

IUPACN-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3ccc(C(C)C)cc3)nn2)c1
InChIInChI=1S/C21H22N4O2/c1-14(2)15-7-9-16(10-8-15)22-20-12-11-19(24-25-20)21(26)23-17-5-4-6-18(13-17)27-3/h4-14H,1-3H3,(H,22,25)(H,23,26)
InChIKeyCYPXWOADNWEMNK-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.60
Rot. Bonds6

About N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide

N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide (PubChem CID 109128208) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
PubChem CID109128208
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3ccc(C(C)C)cc3)nn2)c1
InChIInChI=1S/C21H22N4O2/c1-14(2)15-7-9-16(10-8-15)22-20-12-11-19(24-25-20)21(26)23-17-5-4-6-18(13-17)27-3/h4-14H,1-3H3,(H,22,25)(H,23,26)
InChIKeyCYPXWOADNWEMNK-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129289
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-(3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042566
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-(2,5-dichlorophenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129273
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
methyl 3-[[6-(4-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128748
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide (CID 109128208) is N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide is COc1cccc(NC(=O)c2ccc(Nc3ccc(C(C)C)cc3)nn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
The InChIKey is CYPXWOADNWEMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)15-7-9-16(10-8-15)22-20-12-11-19(24-25-20)21(26)23-17-5-4-6-18(13-17)27-3/h4-14H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).