N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C25H23F3N2O3 — CID 155464504

IUPACN-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC1c2ccc(C)cc2Oc2cc(C)ccc21
InChIInChI=1S/C25H23F3N2O3/c1-4-5-15-12-20(25(26,27)28)29-23(31)21(15)24(32)30-22-16-8-6-13(2)10-18(16)33-19-11-14(3)7-9-17(19)22/h6-12,22H,4-5H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyQMKJCQHUYAZIOG-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.59
Rot. Bonds4

About N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464504) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464504
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC NameN-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC1c2ccc(C)cc2Oc2cc(C)ccc21
InChIInChI=1S/C25H23F3N2O3/c1-4-5-15-12-20(25(26,27)28)29-23(31)21(15)24(32)30-22-16-8-6-13(2)10-18(16)33-19-11-14(3)7-9-17(19)22/h6-12,22H,4-5H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyQMKJCQHUYAZIOG-UHFFFAOYSA-N
XLogP5.59
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 164623715
1-(7-Trifluoromethyl-2,2-dimethyl-2H-1-benzopyran-4-yl)piperidin-2-one
CID 14755386
N-(2-oxopiperidin-4-yl)-2-phenoxy-4-(trifluoromethyl)benzamide
CID 112500067
2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500069
2-(4-fluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 112500143
2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 112500166
N-[1-[4-[[5-[(2,2-difluorocyclopropyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]acetamide
CID 118940233
N-cyclohexyl-4-(4-methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carboxamide
CID 122362756
N-(1,6-dichloro-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464232
N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethenyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464241
N-(3,6-dimethyl-9H-xanthen-9-yl)-5-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464247
N-(1,6-dimethyl-9H-xanthen-9-yl)-5-ethyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464248

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464504) is N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCCc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)NC1c2ccc(C)cc2Oc2cc(C)ccc21.
What is the InChIKey of N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QMKJCQHUYAZIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-4-5-15-12-20(25(26,27)28)29-23(31)21(15)24(32)30-22-16-8-6-13(2)10-18(16)33-19-11-14(3)7-9-17(19)22/h6-12,22H,4-5H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 456.46 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-9H-xanthen-9-yl)-2-oxo-4-propyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).