6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide

C29H26F4N2O4S — CID 129064543

IUPAC6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C29H26F4N2O4S/c1-3-5-14-38-19-10-12-21(23(30)15-19)24-16-22(25-13-11-20(4-2)40-25)26(28(37)35-24)27(36)34-17-6-8-18(9-7-17)39-29(31,32)33/h6-13,15-16H,3-5,14H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyFTTIRUJEULXVKC-UHFFFAOYSA-N
MW574.60 g/mol
LogP7.80
Rot. Bonds10

About 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide

6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 129064543) has the molecular formula C29H26F4N2O4S and a molecular weight of 574.60 g/mol. Its IUPAC name is 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
PubChem CID129064543
Molecular FormulaC29H26F4N2O4S
Molecular Weight574.60 g/mol
Exact Mass574.15
IUPAC Name6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C29H26F4N2O4S/c1-3-5-14-38-19-10-12-21(23(30)15-19)24-16-22(25-13-11-20(4-2)40-25)26(28(37)35-24)27(36)34-17-6-8-18(9-7-17)39-29(31,32)33/h6-13,15-16H,3-5,14H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyFTTIRUJEULXVKC-UHFFFAOYSA-N
XLogP7.80
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 129064687
N-(4-methoxyphenyl)-4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridine-3-carboxamide
CID 129050899
2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 67797398
7-hydroxy-5-oxo-N-[4-(trifluoromethoxy)phenyl]-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734381
N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
CID 5133373
4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 160662874
2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
6-[methyl(propyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 134506867
5-bromo-4-methyl-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 79999376
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 42963640
(Z)-2-ethyl-4-[4-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233373
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730

Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide (CID 129064543) is 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide is CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)[nH]2)c(F)c1.
What is the InChIKey of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is FTTIRUJEULXVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F4N2O4S/c1-3-5-14-38-19-10-12-21(23(30)15-19)24-16-22(25-13-11-20(4-2)40-25)26(28(37)35-24)27(36)34-17-6-8-18(9-7-17)39-29(31,32)33/h6-13,15-16H,3-5,14H2,1-2H3,(H,34,36)(H,35,37).
What are the key properties of 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide?
6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 574.60 g/mol, XLogP of 7.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129064543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).