N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide

C22H17F7N4O3 — CID 167129764

IUPACN-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1nc(C)c(NC(=O)c2cc(C(F)(F)F)ncc2Nc2ccc(OC(F)(F)F)cc2C)cc1F
InChIInChI=1S/C22H17F7N4O3/c1-10-6-12(36-22(27,28)29)4-5-15(10)32-17-9-30-18(21(24,25)26)7-13(17)19(34)33-16-8-14(23)20(35-3)31-11(16)2/h4-9,32H,1-3H3,(H,33,34)
InChIKeyPVLSCVFJJCZNHU-UHFFFAOYSA-N
MW518.39 g/mol
LogP6.15
Rot. Bonds6

About N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide

N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 167129764) has the molecular formula C22H17F7N4O3 and a molecular weight of 518.39 g/mol. Its IUPAC name is N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID167129764
Molecular FormulaC22H17F7N4O3
Molecular Weight518.39 g/mol
Exact Mass518.12
IUPAC NameN-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1nc(C)c(NC(=O)c2cc(C(F)(F)F)ncc2Nc2ccc(OC(F)(F)F)cc2C)cc1F
InChIInChI=1S/C22H17F7N4O3/c1-10-6-12(36-22(27,28)29)4-5-15(10)32-17-9-30-18(21(24,25)26)7-13(17)19(34)33-16-8-14(23)20(35-3)31-11(16)2/h4-9,32H,1-3H3,(H,33,34)
InChIKeyPVLSCVFJJCZNHU-UHFFFAOYSA-N
XLogP6.15
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.39
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-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-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide
CID 155452627
5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
CID 146198831
methyl 5-methoxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670013
4-amino-N-(4-methoxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240718
methyl 4-[[5-chloro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxylate
CID 137406774
methyl 2-(4-methoxy-2-methylanilino)-5-(trifluoromethyl)benzoate
CID 155452822
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 114037696
methyl 5-(4-fluoro-2-prop-2-enylanilino)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 170612072
2-tert-butyl-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-methylpyridine-4-carboxamide
CID 165374257
N-(4-bromo-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955294
2-(4-fluoro-2-methylanilino)-N-(6-methoxy-4-methylpyridazin-3-yl)-4-(trifluoromethyl)benzamide
CID 155452862

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 167129764) is N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide is COc1nc(C)c(NC(=O)c2cc(C(F)(F)F)ncc2Nc2ccc(OC(F)(F)F)cc2C)cc1F.
What is the InChIKey of N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is PVLSCVFJJCZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F7N4O3/c1-10-6-12(36-22(27,28)29)4-5-15(10)32-17-9-30-18(21(24,25)26)7-13(17)19(34)33-16-8-14(23)20(35-3)31-11(16)2/h4-9,32H,1-3H3,(H,33,34).
What are the key properties of N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 518.39 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 167129764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).