N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide

C22H26F3N3O2 — CID 155452510

IUPACN-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2N[C@@H]2CCCC[C@@H]2C)c(C)n1
InChIInChI=1S/C22H26F3N3O2/c1-13-6-4-5-7-17(13)27-19-12-15(22(23,24)25)8-9-16(19)21(29)28-18-10-11-20(30-3)26-14(18)2/h8-13,17,27H,4-7H2,1-3H3,(H,28,29)/t13-,17+/m0/s1
InChIKeyMRZJMGCZUUSIET-SUMWQHHRSA-N
MW421.46 g/mol
LogP5.66
Rot. Bonds5

About N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide

N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide (PubChem CID 155452510) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide
PubChem CID155452510
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2N[C@@H]2CCCC[C@@H]2C)c(C)n1
InChIInChI=1S/C22H26F3N3O2/c1-13-6-4-5-7-17(13)27-19-12-15(22(23,24)25)8-9-16(19)21(29)28-18-10-11-20(30-3)26-14(18)2/h8-13,17,27H,4-7H2,1-3H3,(H,28,29)/t13-,17+/m0/s1
InChIKeyMRZJMGCZUUSIET-SUMWQHHRSA-N
XLogP5.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452593
2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452867
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
2-(3-chloro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 155452506
2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43331072
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
CID 112811006
N-(2-chloro-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-5-(trifluoromethyl)benzamide
CID 155452663
6-methoxy-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 113286375
N-[(1S,2R)-2-methylcyclohexyl]-N'-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 95282750
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8009827
6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
CID 90509274
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-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide (CID 155452510) is N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2N[C@@H]2CCCC[C@@H]2C)c(C)n1.
What is the InChIKey of N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide?
The InChIKey is MRZJMGCZUUSIET-SUMWQHHRSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-13-6-4-5-7-17(13)27-19-12-15(22(23,24)25)8-9-16(19)21(29)28-18-10-11-20(30-3)26-14(18)2/h8-13,17,27H,4-7H2,1-3H3,(H,28,29)/t13-,17+/m0/s1.
What are the key properties of N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide?
N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide has a molecular weight of 421.46 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155452510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).