4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide

C23H16F4N4O2 — CID 162654880

IUPAC4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-n2ccc3cc(NC(=O)c4ccc(F)c(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C23H16F4N4O2/c1-28-22(33)19-12-16(6-8-29-19)31-9-7-13-10-15(3-5-20(13)31)30-21(32)14-2-4-18(24)17(11-14)23(25,26)27/h2-12H,1H3,(H,28,33)(H,30,32)
InChIKeyNXGSUSBEWPVOQL-UHFFFAOYSA-N
MW456.40 g/mol
LogP4.80
Rot. Bonds4

About 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide

4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 162654880) has the molecular formula C23H16F4N4O2 and a molecular weight of 456.40 g/mol. Its IUPAC name is 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID162654880
Molecular FormulaC23H16F4N4O2
Molecular Weight456.40 g/mol
Exact Mass456.12
IUPAC Name4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-n2ccc3cc(NC(=O)c4ccc(F)c(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C23H16F4N4O2/c1-28-22(33)19-12-16(6-8-29-19)31-9-7-13-10-15(3-5-20(13)31)30-21(32)14-2-4-18(24)17(11-14)23(25,26)27/h2-12H,1H3,(H,28,33)(H,30,32)
InChIKeyNXGSUSBEWPVOQL-UHFFFAOYSA-N
XLogP4.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide
CID 162646366
4-(5-benzamidoindol-1-yl)-N-methylpyridine-2-carboxamide
CID 162675882
N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]pyridine-2-carboxamide
CID 162649978
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
methyl 1-[3-[[4-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[3,2-b]pyridine-5-carboxylate
CID 46224192
6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
CID 164889105
N-(2-isocyano-4-pyridinyl)-1-phenylindole-5-carboxamide
CID 168849728
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
CID 114387361

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide (CID 162654880) is 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-n2ccc3cc(NC(=O)c4ccc(F)c(C(F)(F)F)c4)ccc32)ccn1.
What is the InChIKey of 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is NXGSUSBEWPVOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O2/c1-28-22(33)19-12-16(6-8-29-19)31-9-7-13-10-15(3-5-20(13)31)30-21(32)14-2-4-18(24)17(11-14)23(25,26)27/h2-12H,1H3,(H,28,33)(H,30,32).
What are the key properties of 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide?
4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 456.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162654880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).