N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide

C18H21F2N5O2 — CID 167750149

IUPACN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OC(F)F)nn1
InChIInChI=1S/C18H21F2N5O2/c1-12-3-5-15(23-22-12)17(26)21-14-6-4-13(11-16(14)27-18(19)20)25-9-7-24(2)8-10-25/h3-6,11,18H,7-10H2,1-2H3,(H,21,26)
InChIKeyVKKLUIRUDPNRJE-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.39
Rot. Bonds5

About N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide

N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide (PubChem CID 167750149) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide
PubChem CID167750149
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OC(F)F)nn1
InChIInChI=1S/C18H21F2N5O2/c1-12-3-5-15(23-22-12)17(26)21-14-6-4-13(11-16(14)27-18(19)20)25-9-7-24(2)8-10-25/h3-6,11,18H,7-10H2,1-2H3,(H,21,26)
InChIKeyVKKLUIRUDPNRJE-UHFFFAOYSA-N
XLogP2.39
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 5297391
N-(3-(difluoromethoxy)phenyl)-6-(piperidin-1-yl)pyridazine-3-carboxamide
CID 71778564
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 45206622
2-(3-aminophenyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 18549344
[6-(3-Methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 56959919
6-methoxy-N-(2-(trifluoromethoxy)phenyl)pyridazine-3-carboxamide
CID 90509482
6-ethoxy-N-(2-(trifluoromethoxy)phenyl)pyridazine-3-carboxamide
CID 90509717
N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 95851846
N-(3-(difluoromethoxy)phenyl)-6-(pyrrolidin-1-yl)pyridazine-3-carboxamide
CID 121027827
6-(piperidin-1-yl)-N-(2-(trifluoromethoxy)phenyl)pyridazine-3-carboxamide
CID 121027972
6-morpholino-N-(2-(trifluoromethoxy)phenyl)pyridazine-3-carboxamide
CID 121028180
N-(3-(difluoromethoxy)phenyl)-6-morpholinopyridazine-3-carboxamide
CID 121028235

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide (CID 167750149) is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OC(F)F)nn1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide?
The InChIKey is VKKLUIRUDPNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-12-3-5-15(23-22-12)17(26)21-14-6-4-13(11-16(14)27-18(19)20)25-9-7-24(2)8-10-25/h3-6,11,18H,7-10H2,1-2H3,(H,21,26).
What are the key properties of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide?
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167750149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).