N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C18H14F3N5O — CID 109121178

IUPACN-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-4-1-5-14(9-13)24-16-7-6-15(25-26-16)17(27)23-11-12-3-2-8-22-10-12/h1-10H,11H2,(H,23,27)(H,24,26)
InChIKeySXLXWCCEWZCVQJ-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.56
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109121178) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109121178
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H14F3N5O/c19-18(20,21)13-4-1-5-14(9-13)24-16-7-6-15(25-26-16)17(27)23-11-12-3-2-8-22-10-12/h1-10H,11H2,(H,23,27)(H,24,26)
InChIKeySXLXWCCEWZCVQJ-UHFFFAOYSA-N
XLogP3.56
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222
[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 134539241
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109121178) is N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is SXLXWCCEWZCVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-18(20,21)13-4-1-5-14(9-13)24-16-7-6-15(25-26-16)17(27)23-11-12-3-2-8-22-10-12/h1-10H,11H2,(H,23,27)(H,24,26).
What are the key properties of N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109121178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).