6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide

C26H22F3N5O3 — CID 164889105

IUPAC6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-n2ccc3cc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)ccc32)n1
InChIInChI=1S/C26H22F3N5O3/c27-26(28,29)19-15-17(4-6-22(19)33-10-12-37-13-11-33)25(36)31-18-5-7-21-16(14-18)8-9-34(21)23-3-1-2-20(32-23)24(30)35/h1-9,14-15H,10-13H2,(H2,30,35)(H,31,36)
InChIKeyVYOIADBUIUOFJD-UHFFFAOYSA-N
MW509.49 g/mol
LogP4.23
Rot. Bonds5

About 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide

6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide (PubChem CID 164889105) has the molecular formula C26H22F3N5O3 and a molecular weight of 509.49 g/mol. Its IUPAC name is 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
PubChem CID164889105
Molecular FormulaC26H22F3N5O3
Molecular Weight509.49 g/mol
Exact Mass509.17
IUPAC Name6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-n2ccc3cc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)ccc32)n1
InChIInChI=1S/C26H22F3N5O3/c27-26(28,29)19-15-17(4-6-22(19)33-10-12-37-13-11-33)25(36)31-18-5-7-21-16(14-18)8-9-34(21)23-3-1-2-20(32-23)24(30)35/h1-9,14-15H,10-13H2,(H2,30,35)(H,31,36)
InChIKeyVYOIADBUIUOFJD-UHFFFAOYSA-N
XLogP4.23
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[4-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[3,2-b]pyridine-5-carboxylate
CID 46224238
N-[4-(4-aminopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 53375899
N-[3-(4-benzamidopyrrolo[3,2-c]pyridin-1-yl)phenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 46890251
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
4-methyl-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzamide;3-pyridin-3-ylprop-2-enamide
CID 174642582
N-[4-(6,7-dimethoxy-2-methylquinolin-3-yl)oxyphenyl]-4-morpholin-4-yl-3-(trifluoromethyl)benzamide
CID 155809874
5-[(3-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146060806
4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide
CID 162654880
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573864

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide (CID 164889105) is 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide is NC(=O)c1cccc(-n2ccc3cc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)ccc32)n1.
What is the InChIKey of 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
The InChIKey is VYOIADBUIUOFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3/c27-26(28,29)19-15-17(4-6-22(19)33-10-12-37-13-11-33)25(36)31-18-5-7-21-16(14-18)8-9-34(21)23-3-1-2-20(32-23)24(30)35/h1-9,14-15H,10-13H2,(H2,30,35)(H,31,36).
What are the key properties of 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide?
6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 164889105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).