N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H12F3N3O3 — CID 155464578

IUPACN-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cccnc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H12F3N3O3/c20-19(21,22)14-8-7-11(17(26)24-14)18(27)25-15-10-4-1-2-5-12(10)28-13-6-3-9-23-16(13)15/h1-9,15H,(H,24,26)(H,25,27)
InChIKeyBXWKOZKMUSNYMU-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.41
Rot. Bonds2

About N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464578) has the molecular formula C19H12F3N3O3 and a molecular weight of 387.32 g/mol. Its IUPAC name is N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464578
Molecular FormulaC19H12F3N3O3
Molecular Weight387.32 g/mol
Exact Mass387.08
IUPAC NameN-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1c2ccccc2Oc2cccnc21)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H12F3N3O3/c20-19(21,22)14-8-7-11(17(26)24-14)18(27)25-15-10-4-1-2-5-12(10)28-13-6-3-9-23-16(13)15/h1-9,15H,(H,24,26)(H,25,27)
InChIKeyBXWKOZKMUSNYMU-UHFFFAOYSA-N
XLogP3.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464578) is N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1c2ccccc2Oc2cccnc21)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BXWKOZKMUSNYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3/c20-19(21,22)14-8-7-11(17(26)24-14)18(27)25-15-10-4-1-2-5-12(10)28-13-6-3-9-23-16(13)15/h1-9,15H,(H,24,26)(H,25,27).
What are the key properties of N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).