N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide

C23H20F3N5O2 — CID 171035763

IUPACN-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C23H20F3N5O2/c1-27-21(32)19-13-18(7-9-28-19)31-10-8-14-11-17(5-6-20(14)31)30-22(33)29-16-4-2-3-15(12-16)23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,27,32)(H2,29,30,33)
InChIKeyYBBMLHIWGNEXJM-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.80
Rot. Bonds4

About N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide

N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide (PubChem CID 171035763) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide
PubChem CID171035763
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC NameN-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C23H20F3N5O2/c1-27-21(32)19-13-18(7-9-28-19)31-10-8-14-11-17(5-6-20(14)31)30-22(33)29-16-4-2-3-15(12-16)23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,27,32)(H2,29,30,33)
InChIKeyYBBMLHIWGNEXJM-UHFFFAOYSA-N
XLogP4.80
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]pyridine-2-carboxamide
CID 162649978
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180068
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-(2-hydroxyethyl)formamide;N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143211467
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219632
N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219601
N-methyl-4-[4-[[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919791
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide (CID 171035763) is N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide is CNC(=O)c1cc(N2CCc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)ccc32)ccn1.
What is the InChIKey of N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide?
The InChIKey is YBBMLHIWGNEXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-27-21(32)19-13-18(7-9-28-19)31-10-8-14-11-17(5-6-20(14)31)30-22(33)29-16-4-2-3-15(12-16)23(24,25)26/h2-7,9,11-13H,8,10H2,1H3,(H,27,32)(H2,29,30,33).
What are the key properties of N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide?
N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydroindol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171035763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).