6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

C22H23N5O2 — CID 109128192

IUPAC6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(C)C)nn2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)18-6-4-5-7-19(18)25-22(29)20-12-13-21(27-26-20)24-17-10-8-16(9-11-17)23-15(3)28/h4-14H,1-3H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyABDYHVMGMRASGB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.55
Rot. Bonds6

About 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109128192) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109128192
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(C)C)nn2)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)18-6-4-5-7-19(18)25-22(29)20-12-13-21(27-26-20)24-17-10-8-16(9-11-17)23-15(3)28/h4-14H,1-3H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyABDYHVMGMRASGB-UHFFFAOYSA-N
XLogP4.55
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-[(2-propan-2-ylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128195
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128181
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
6-hydrazinyl-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 62236502
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128180
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109128192) is 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(C)C)nn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is ABDYHVMGMRASGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(2)18-6-4-5-7-19(18)25-22(29)20-12-13-21(27-26-20)24-17-10-8-16(9-11-17)23-15(3)28/h4-14H,1-3H3,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).