8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

C24H18F3N3O3 — CID 51367608

IUPAC8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C24H18F3N3O3/c1-14-6-3-11-20(28-14)30-22(31)18-12-15-7-4-10-19(32-2)21(15)33-23(18)29-17-9-5-8-16(13-17)24(25,26)27/h3-13H,1-2H3,(H,28,30,31)/b29-23-
InChIKeyYUMWVQDIYWGWQA-FAJYDZGRSA-N
MW453.42 g/mol
LogP5.65
Rot. Bonds4

About 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 51367608) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID51367608
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C24H18F3N3O3/c1-14-6-3-11-20(28-14)30-22(31)18-12-15-7-4-10-19(32-2)21(15)33-23(18)29-17-9-5-8-16(13-17)24(25,26)27/h3-13H,1-2H3,(H,28,30,31)/b29-23-
InChIKeyYUMWVQDIYWGWQA-FAJYDZGRSA-N
XLogP5.65
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367160
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 4248633
2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 53334809
2-(2,4-dimethoxyphenyl)imino-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367582
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
2-(2-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367145
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367859
2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367152
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367169

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 51367608) is 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C(F)(F)F)c3)oc12.
What is the InChIKey of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is YUMWVQDIYWGWQA-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c1-14-6-3-11-20(28-14)30-22(31)18-12-15-7-4-10-19(32-2)21(15)33-23(18)29-17-9-5-8-16(13-17)24(25,26)27/h3-13H,1-2H3,(H,28,30,31)/b29-23-.
What are the key properties of 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide has a molecular weight of 453.42 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 51367608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).