N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H14F3N3O4 — CID 155464295

IUPACN-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccncc1O2
InChIInChI=1S/C20H14F3N3O4/c1-29-10-2-4-14-13(8-10)17(11-6-7-24-9-15(11)30-14)26-19(28)12-3-5-16(20(21,22)23)25-18(12)27/h2-9,17H,1H3,(H,25,27)(H,26,28)
InChIKeyGACFCNLLXUURAV-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.42
Rot. Bonds3

About N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464295) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464295
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC NameN-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccncc1O2
InChIInChI=1S/C20H14F3N3O4/c1-29-10-2-4-14-13(8-10)17(11-6-7-24-9-15(11)30-14)26-19(28)12-3-5-16(20(21,22)23)25-18(12)27/h2-9,17H,1H3,(H,25,27)(H,26,28)
InChIKeyGACFCNLLXUURAV-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

Analyze N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

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2-[[10-Hydroxy-12-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carbonyl]amino]acetic acid
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4-tert-butyl-N-(2-oxopiperidin-4-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
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N-[8-(4,4-Difluoro-chroman-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]-propionamide, Enantiomer II
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US10335401, No. I-13
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N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464303
N-(7-methoxy-10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464459
N-(3-methyl-10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464295) is N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1ccc2c(c1)C(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ccncc1O2.
What is the InChIKey of N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GACFCNLLXUURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c1-29-10-2-4-14-13(8-10)17(11-6-7-24-9-15(11)30-14)26-19(28)12-3-5-16(20(21,22)23)25-18(12)27/h2-9,17H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(7-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-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).