5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide

C22H15F3N2O3 — CID 1485835

IUPAC5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H15F3N2O3/c1-12(13-7-3-2-4-8-13)26-20(29)16-11-15-18(28)14-9-5-6-10-17(14)30-21(15)27-19(16)22(23,24)25/h2-12H,1H3,(H,26,29)/t12-/m1/s1
InChIKeyGIDPDCBPZWGNOK-GFCCVEGCSA-N
MW412.37 g/mol
LogP4.85
Rot. Bonds3

About 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide

5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 1485835) has the molecular formula C22H15F3N2O3 and a molecular weight of 412.37 g/mol. Its IUPAC name is 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
PubChem CID1485835
Molecular FormulaC22H15F3N2O3
Molecular Weight412.37 g/mol
Exact Mass412.10
IUPAC Name5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C22H15F3N2O3/c1-12(13-7-3-2-4-8-13)26-20(29)16-11-15-18(28)14-9-5-6-10-17(14)30-21(15)27-19(16)22(23,24)25/h2-12H,1H3,(H,26,29)/t12-/m1/s1
InChIKeyGIDPDCBPZWGNOK-GFCCVEGCSA-N
XLogP4.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
CID 2764664
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 1475298
N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide
CID 58035616
N-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008411
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]pyran-2-carboxylic acid
CID 59356740
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[[(1S)-1-phenylethyl]carbamoyl]benzoate
CID 6929624

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide (CID 1485835) is 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is GIDPDCBPZWGNOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H15F3N2O3/c1-12(13-7-3-2-4-8-13)26-20(29)16-11-15-18(28)14-9-5-6-10-17(14)30-21(15)27-19(16)22(23,24)25/h2-12H,1H3,(H,26,29)/t12-/m1/s1.
What are the key properties of 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide?
5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 1485835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).