N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide

C22H22F3N7O2 — CID 162619064

IUPACN-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide
SMILESCOCCNc1ncc(-c2cc(NC(=O)C3=CNN(C)C(C(F)(F)F)=C3)cnc2C)cc1C#N
InChIInChI=1S/C22H22F3N7O2/c1-13-18(15-6-14(9-26)20(29-10-15)27-4-5-34-3)8-17(12-28-13)31-21(33)16-7-19(22(23,24)25)32(2)30-11-16/h6-8,10-12,30H,4-5H2,1-3H3,(H,27,29)(H,31,33)
InChIKeyLSMAWEBELIFDJR-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.10
Rot. Bonds7

About N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide

N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide (PubChem CID 162619064) has the molecular formula C22H22F3N7O2 and a molecular weight of 473.46 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide
PubChem CID162619064
Molecular FormulaC22H22F3N7O2
Molecular Weight473.46 g/mol
Exact Mass473.18
IUPAC NameN-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide
SMILESCOCCNc1ncc(-c2cc(NC(=O)C3=CNN(C)C(C(F)(F)F)=C3)cnc2C)cc1C#N
InChIInChI=1S/C22H22F3N7O2/c1-13-18(15-6-14(9-26)20(29-10-15)27-4-5-34-3)8-17(12-28-13)31-21(33)16-7-19(22(23,24)25)32(2)30-11-16/h6-8,10-12,30H,4-5H2,1-3H3,(H,27,29)(H,31,33)
InChIKeyLSMAWEBELIFDJR-UHFFFAOYSA-N
XLogP3.10
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130417877
2-(2-methoxyethoxy)-5-[2-methyl-5-[1-[2-(trifluoromethyl)-4-pyridinyl]ethenylamino]-3-pyridinyl]pyridine-3-carbonitrile
CID 162619055
N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 130405161
2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70047401
N-[5-[5-cyano-6-(2-oxo-1-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130405140
N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130405023
5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile
CID 159674175
N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 130405036
1-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 87044584
3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide
CID 24937326
N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
CID 130405002
2-(2-cyanopropan-2-yl)-N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 130417896

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide (CID 162619064) is N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide is COCCNc1ncc(-c2cc(NC(=O)C3=CNN(C)C(C(F)(F)F)=C3)cnc2C)cc1C#N.
What is the InChIKey of N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide?
The InChIKey is LSMAWEBELIFDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O2/c1-13-18(15-6-14(9-26)20(29-10-15)27-4-5-34-3)8-17(12-28-13)31-21(33)16-7-19(22(23,24)25)32(2)30-11-16/h6-8,10-12,30H,4-5H2,1-3H3,(H,27,29)(H,31,33).
What are the key properties of N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide?
N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 162619064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).