N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide

C17H12F3N5O — CID 113048977

IUPACN-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1)c1cccnc1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)12-4-1-5-13(9-12)22-14-6-7-15(25-24-14)23-16(26)11-3-2-8-21-10-11/h1-10H,(H,22,24)(H,23,25,26)
InChIKeyBDBVEMJRKUKBGY-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.89
Rot. Bonds4

About N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide

N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113048977) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113048977
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC NameN-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1)c1cccnc1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)12-4-1-5-13(9-12)22-14-6-7-15(25-24-14)23-16(26)11-3-2-8-21-10-11/h1-10H,(H,22,24)(H,23,25,26)
InChIKeyBDBVEMJRKUKBGY-UHFFFAOYSA-N
XLogP3.89
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
N-(3-methylphenyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162234
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
3-N-[4-(trifluoromethyl)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 90303181
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide (CID 113048977) is N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1)c1cccnc1.
What is the InChIKey of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is BDBVEMJRKUKBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)12-4-1-5-13(9-12)22-14-6-7-15(25-24-14)23-16(26)11-3-2-8-21-10-11/h1-10H,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113048977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).