6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

C17H12F3N5O — CID 109121081

IUPAC6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C17H12F3N5O/c18-11-3-4-12(16(20)15(11)19)23-17(26)13-5-6-14(25-24-13)22-9-10-2-1-7-21-8-10/h1-8H,9H2,(H,22,25)(H,23,26)
InChIKeyNNYICWCVXFGCIS-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.15
Rot. Bonds5

About 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (PubChem CID 109121081) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
PubChem CID109121081
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C17H12F3N5O/c18-11-3-4-12(16(20)15(11)19)23-17(26)13-5-6-14(25-24-13)22-9-10-2-1-7-21-8-10/h1-8H,9H2,(H,22,25)(H,23,26)
InChIKeyNNYICWCVXFGCIS-UHFFFAOYSA-N
XLogP3.15
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121032
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47193920
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109121003
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (CID 109121081) is 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(NCc2cccnc2)nn1.
What is the InChIKey of 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The InChIKey is NNYICWCVXFGCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-11-3-4-12(16(20)15(11)19)23-17(26)13-5-6-14(25-24-13)22-9-10-2-1-7-21-8-10/h1-8H,9H2,(H,22,25)(H,23,26).
What are the key properties of 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).