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

C20H18F3N3O4 — CID 171903979

IUPACN-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)Oc1cnccc1C2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C20H18F3N3O4/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/h2-3,6-9,13,16-17H,4-5H2,1H3,(H,25,27)(H,26,28)
InChIKeyUFSXWXKAXJEQEN-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.86
Rot. Bonds3

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

N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 171903979) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID171903979
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)Oc1cnccc1C2NC(=O)C1CCC(C(F)(F)F)NC1=O
InChIInChI=1S/C20H18F3N3O4/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/h2-3,6-9,13,16-17H,4-5H2,1H3,(H,25,27)(H,26,28)
InChIKeyUFSXWXKAXJEQEN-UHFFFAOYSA-N
XLogP2.86
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903765
N-(1-fluoro-9H-xanthen-9-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903611
N-[2-(azetidin-3-yl)-9H-xanthen-9-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903885
N-[(1R,4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904115
N-(2-methoxy-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904055
N-[(2S)-5-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-yl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904041
N-(3,6-dichloro-9H-xanthen-9-yl)-2-oxo-5-propyl-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903594
N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154881
(5S,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135795081
2,6-dimethoxy-9H-xanthene-9-carboxylic acid
CID 23283018
(4S,5R,6R)-6-(2,5-dimethoxyphenyl)-4-hydroxy-5-(pyridine-3-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 51680401
(5S,7R)-5-(3-methoxyphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1141263

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 171903979) is N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is COc1ccc2c(c1)Oc1cnccc1C2NC(=O)C1CCC(C(F)(F)F)NC1=O.
What is the InChIKey of N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is UFSXWXKAXJEQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/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/h2-3,6-9,13,16-17H,4-5H2,1H3,(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)piperidine-3-carboxamide?
N-(8-methoxy-5H-chromeno[2,3-c]pyridin-5-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 2.86, 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)piperidine-3-carboxamide is sourced from PubChem (CID 171903979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).