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

C19H12F3N3O4 — CID 171904070

IUPACN-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESO=C1N=C(C(F)(F)F)C=CC1C(=O)NC1c2ccncc2Oc2ccc(O)cc21
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)15-4-2-11(17(27)24-15)18(28)25-16-10-5-6-23-8-14(10)29-13-3-1-9(26)7-12(13)16/h1-8,11,16,26H,(H,25,28)
InChIKeyPBMASHNOWDHGES-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.81
Rot. Bonds2

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

N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (PubChem CID 171904070) has the molecular formula C19H12F3N3O4 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
PubChem CID171904070
Molecular FormulaC19H12F3N3O4
Molecular Weight403.32 g/mol
Exact Mass403.08
IUPAC NameN-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide
SMILESO=C1N=C(C(F)(F)F)C=CC1C(=O)NC1c2ccncc2Oc2ccc(O)cc21
InChIInChI=1S/C19H12F3N3O4/c20-19(21,22)15-4-2-11(17(27)24-15)18(28)25-16-10-5-6-23-8-14(10)29-13-3-1-9(26)7-12(13)16/h1-8,11,16,26H,(H,25,28)
InChIKeyPBMASHNOWDHGES-UHFFFAOYSA-N
XLogP2.81
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

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
CID 121246837
N-(7-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464295
N-(8-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464303
N-(3-methyl-10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464462
N-(8-methyl-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464469
N-(7-methyl-10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464470
N-(3-methyl-10H-chromeno[3,2-c]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464473
N-(5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464529
N-(10H-chromeno[3,2-b]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464578
N-(7-methyl-10H-chromeno[3,2-c]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464931
N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464290
N-(10H-chromeno[3,2-c]pyridin-10-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464587

Frequently Asked Questions

What is the IUPAC name of N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The IUPAC name of N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide (CID 171904070) is N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The canonical SMILES for N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is O=C1N=C(C(F)(F)F)C=CC1C(=O)NC1c2ccncc2Oc2ccc(O)cc21.
What is the InChIKey of N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
The InChIKey is PBMASHNOWDHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O4/c20-19(21,22)15-4-2-11(17(27)24-15)18(28)25-16-10-5-6-23-8-14(10)29-13-3-1-9(26)7-12(13)16/h1-8,11,16,26H,(H,25,28).
What are the key properties of N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide?
N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxamide is sourced from PubChem (CID 171904070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).