5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide

C23H18F3N3O3 — CID 118509025

IUPAC5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide
SMILESCc1cc(Nc2ccc(C3CC3)cc2C(=O)N=O)cnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O3/c1-13-9-17(12-27-21(13)16-3-2-4-18(10-16)32-23(24,25)26)28-20-8-7-15(14-5-6-14)11-19(20)22(30)29-31/h2-4,7-12,14,28H,5-6H2,1H3
InChIKeyWMBOCNANIYJFHA-UHFFFAOYSA-N
MW441.41 g/mol
LogP6.48
Rot. Bonds6

About 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide

5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide (PubChem CID 118509025) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide
PubChem CID118509025
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC Name5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide
SMILESCc1cc(Nc2ccc(C3CC3)cc2C(=O)N=O)cnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O3/c1-13-9-17(12-27-21(13)16-3-2-4-18(10-16)32-23(24,25)26)28-20-8-7-15(14-5-6-14)11-19(20)22(30)29-31/h2-4,7-12,14,28H,5-6H2,1H3
InChIKeyWMBOCNANIYJFHA-UHFFFAOYSA-N
XLogP6.48
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methoxyphenyl)pyridine-2-carboxamide
CID 46179394
N-(3,5-dimethylphenyl)-5-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 52942105
2-[6-(3-methoxyphenyl)-3-pyridyl]-3-methyl-1H-quinolin-4-one
CID 70687937
6-methoxy-3-methyl-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67616883
Lithium;3-[2-fluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-4-carboxylate
CID 24987532
5-Cyclopropyl-2-(6-methoxy-5-phenylpyridin-3-ylamino)benzoic acid
CID 25186449
2-[[6-(3-Ethoxyphenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25187280
2-[[6-(3-Ethoxyphenyl)-4-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25187282
2-[[6-(3-Methoxyphenyl)-5-methylpyridin-3-yl]amino]-5-(trifluoromethyl)benzoic acid
CID 25187569
2-[[6-(3-Methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25187570
2-[[6-(5-Ethoxy-2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
CID 25187573

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide?
The IUPAC name of 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide (CID 118509025) is 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide.
What is the SMILES notation for 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide?
The canonical SMILES for 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide is Cc1cc(Nc2ccc(C3CC3)cc2C(=O)N=O)cnc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide?
The InChIKey is WMBOCNANIYJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c1-13-9-17(12-27-21(13)16-3-2-4-18(10-16)32-23(24,25)26)28-20-8-7-15(14-5-6-14)11-19(20)22(30)29-31/h2-4,7-12,14,28H,5-6H2,1H3.
What are the key properties of 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide?
5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide has a molecular weight of 441.41 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[5-methyl-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]-N-oxobenzamide is sourced from PubChem (CID 118509025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).