N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

C20H14F3N3O3 — CID 171903969

IUPACN-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cnccc1C2NC(=O)C1C=CC(C(F)(F)F)=NC1=O
InChIInChI=1S/C20H14F3N3O3/c1-10-2-3-11-14(8-10)29-15-9-24-7-6-12(15)17(11)26-19(28)13-4-5-16(20(21,22)23)25-18(13)27/h2-9,13,17H,1H3,(H,26,28)
InChIKeyJMIFLPXZEMMGFV-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.42
Rot. Bonds2

About N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide

N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171903969) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171903969
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC NameN-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)Oc1cnccc1C2NC(=O)C1C=CC(C(F)(F)F)=NC1=O
InChIInChI=1S/C20H14F3N3O3/c1-10-2-3-11-14(8-10)29-15-9-24-7-6-12(15)17(11)26-19(28)13-4-5-16(20(21,22)23)25-18(13)27/h2-9,13,17H,1H3,(H,26,28)
InChIKeyJMIFLPXZEMMGFV-UHFFFAOYSA-N
XLogP3.42
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171903969) is N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is Cc1ccc2c(c1)Oc1cnccc1C2NC(=O)C1C=CC(C(F)(F)F)=NC1=O.
What is the InChIKey of N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is JMIFLPXZEMMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c1-10-2-3-11-14(8-10)29-15-9-24-7-6-12(15)17(11)26-19(28)13-4-5-16(20(21,22)23)25-18(13)27/h2-9,13,17H,1H3,(H,26,28).
What are the key properties of N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 401.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171903969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).