N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide

C22H24N4O2 — CID 109111692

IUPACN-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C22H24N4O2/c1-3-16(2)23-22(27)20-13-14-21(26-25-20)24-18-9-11-19(12-10-18)28-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMNNBWAWHTYWQRD-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.33
Rot. Bonds8

About N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide

N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide (PubChem CID 109111692) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
PubChem CID109111692
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1
InChIInChI=1S/C22H24N4O2/c1-3-16(2)23-22(27)20-13-14-21(26-25-20)24-18-9-11-19(12-10-18)28-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMNNBWAWHTYWQRD-UHFFFAOYSA-N
XLogP4.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
N-butan-2-yl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109111624
N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113049923
N-butan-2-yl-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109111648
6-(3-acetylanilino)-N-butan-2-ylpyridazine-3-carboxamide
CID 109111674
4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110344
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
N-butan-2-yl-6-(4-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852605
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide (CID 109111692) is N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide is CCC(C)NC(=O)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nn1.
What is the InChIKey of N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide?
The InChIKey is MNNBWAWHTYWQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-16(2)23-22(27)20-13-14-21(26-25-20)24-18-9-11-19(12-10-18)28-15-17-7-5-4-6-8-17/h4-14,16H,3,15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide?
N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(4-phenylmethoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).