1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C19H22F3N3O3 — CID 31483011

IUPAC1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCC)ccc1=O
InChIInChI=1S/C19H22F3N3O3/c1-3-5-10-25-17(26)9-7-14(24-25)18(27)23-15-12-13(19(20,21)22)6-8-16(15)28-11-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,27)
InChIKeyXFQCWHSPXJANKV-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.10
Rot. Bonds8

About 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 31483011) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID31483011
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCC)ccc1=O
InChIInChI=1S/C19H22F3N3O3/c1-3-5-10-25-17(26)9-7-14(24-25)18(27)23-15-12-13(19(20,21)22)6-8-16(15)28-11-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,27)
InChIKeyXFQCWHSPXJANKV-UHFFFAOYSA-N
XLogP4.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
CID 55803508
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 36667250
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 31483011) is 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCC)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is XFQCWHSPXJANKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-3-5-10-25-17(26)9-7-14(24-25)18(27)23-15-12-13(19(20,21)22)6-8-16(15)28-11-4-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,27).
What are the key properties of 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 31483011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).