6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C20H17F3N4O — CID 109118785

IUPAC6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1)c1ccccc1
InChIInChI=1S/C20H17F3N4O/c1-13(14-5-3-2-4-6-14)24-18-12-11-17(26-27-18)19(28)25-16-9-7-15(8-10-16)20(21,22)23/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyTZBOQZYMMCRKRE-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.92
Rot. Bonds5

About 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109118785) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109118785
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1)c1ccccc1
InChIInChI=1S/C20H17F3N4O/c1-13(14-5-3-2-4-6-14)24-18-12-11-17(26-27-18)19(28)25-16-9-7-15(8-10-16)20(21,22)23/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyTZBOQZYMMCRKRE-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 133350267
1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109127184
5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109280985
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
CID 133313240
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109118785) is 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CC(Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1)c1ccccc1.
What is the InChIKey of 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is TZBOQZYMMCRKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-13(14-5-3-2-4-6-14)24-18-12-11-17(26-27-18)19(28)25-16-9-7-15(8-10-16)20(21,22)23/h2-13H,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109118785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).