8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

C23H16F3N3O3 — CID 51367160

IUPAC8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C23H16F3N3O3/c1-31-18-9-4-6-14-12-17(21(30)29-19-10-2-3-11-27-19)22(32-20(14)18)28-16-8-5-7-15(13-16)23(24,25)26/h2-13H,1H3,(H,27,29,30)/b28-22-
InChIKeyGUJOKAPPDDAOIG-SLMZUGIISA-N
MW439.39 g/mol
LogP5.34
Rot. Bonds4

About 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 51367160) has the molecular formula C23H16F3N3O3 and a molecular weight of 439.39 g/mol. Its IUPAC name is 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID51367160
Molecular FormulaC23H16F3N3O3
Molecular Weight439.39 g/mol
Exact Mass439.11
IUPAC Name8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C23H16F3N3O3/c1-31-18-9-4-6-14-12-17(21(30)29-19-10-2-3-11-27-19)22(32-20(14)18)28-16-8-5-7-15(13-16)23(24,25)26/h2-13H,1H3,(H,27,29,30)/b28-22-
InChIKeyGUJOKAPPDDAOIG-SLMZUGIISA-N
XLogP5.34
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367608
8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 4248633
2-(2-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367145
2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367152
2-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367154
2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367169
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 53334809
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631507

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 51367160) is 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C(F)(F)F)c3)oc12.
What is the InChIKey of 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is GUJOKAPPDDAOIG-SLMZUGIISA-N. The full InChI is InChI=1S/C23H16F3N3O3/c1-31-18-9-4-6-14-12-17(21(30)29-19-10-2-3-11-27-19)22(32-20(14)18)28-16-8-5-7-15(13-16)23(24,25)26/h2-13H,1H3,(H,27,29,30)/b28-22-.
What are the key properties of 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide has a molecular weight of 439.39 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 51367160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).