N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H14F3N3O4 — CID 155464474

IUPACN-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)Oc1cnccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H14F3N3O4/c1-29-10-2-3-11-14(8-10)30-15-9-24-7-6-12(15)17(11)26-19(28)13-4-5-16(20(21,22)23)25-18(13)27/h2-9,17H,1H3,(H,25,27)(H,26,28)
InChIKeyWDTGNDOLAKKVOT-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.42
Rot. Bonds3

About N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464474) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464474
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC NameN-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)Oc1cnccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C20H14F3N3O4/c1-29-10-2-3-11-14(8-10)30-15-9-24-7-6-12(15)17(11)26-19(28)13-4-5-16(20(21,22)23)25-18(13)27/h2-9,17H,1H3,(H,25,27)(H,26,28)
InChIKeyWDTGNDOLAKKVOT-UHFFFAOYSA-N
XLogP3.42
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464474) is N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1ccc2c(c1)Oc1cnccc1C2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is WDTGNDOLAKKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c1-29-10-2-3-11-14(8-10)30-15-9-24-7-6-12(15)17(11)26-19(28)13-4-5-16(20(21,22)23)25-18(13)27/h2-9,17H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).