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

C19H23F2N5O2 — CID 167958451

IUPACN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OC(F)F)c(C)nn1
InChIInChI=1S/C19H23F2N5O2/c1-12-10-15(13(2)24-23-12)18(27)22-16-5-4-14(11-17(16)28-19(20)21)26-8-6-25(3)7-9-26/h4-5,10-11,19H,6-9H2,1-3H3,(H,22,27)
InChIKeyYVBYGAHABANOMM-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.70
Rot. Bonds5

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

N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 167958451) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID167958451
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OC(F)F)c(C)nn1
InChIInChI=1S/C19H23F2N5O2/c1-12-10-15(13(2)24-23-12)18(27)22-16-5-4-14(11-17(16)28-19(20)21)26-8-6-25(3)7-9-26/h4-5,10-11,19H,6-9H2,1-3H3,(H,22,27)
InChIKeyYVBYGAHABANOMM-UHFFFAOYSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3,5-Dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 57555002
4-[4-[3-[(3R)-3-aminopiperidine-1-carbonyl]-5-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-3-methoxyphenyl]piperazin-2-one
CID 178510251
1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 41978153
(3-Ethyl-6-methylpyridazin-4-yl)-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 132359749
[4-(4-Fluoro-3-methoxyphenyl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 146075612
2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)-N-[(6-methylpyridazin-3-yl)methyl]aniline
CID 166269451
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
CID 166296878
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-6-methylpyridazine-3-carboxamide
CID 167750149
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 167777409
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-2-ethoxy-6-methylpyridine-3-carboxamide
CID 167961757
2-[3-(aminomethyl)phenyl]-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methylpyrazole-3-carboxamide
CID 18549536
N-(3-methoxyphenyl)-3-[1-(pyridazin-4-ylcarbonyl)piperidin-4-yl]propanamide
CID 72881305

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide (CID 167958451) is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2OC(F)F)c(C)nn1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is YVBYGAHABANOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c1-12-10-15(13(2)24-23-12)18(27)22-16-5-4-14(11-17(16)28-19(20)21)26-8-6-25(3)7-9-26/h4-5,10-11,19H,6-9H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 2.70, 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]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 167958451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).