4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide

C25H24F3N5O3 — CID 175983784

IUPAC4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCC(c3cc(C(=O)Nc4cncc(C(F)(F)F)c4)ccc3OC)C2)ccn1
InChIInChI=1S/C25H24F3N5O3/c1-29-24(35)21-11-19(5-7-31-21)33-8-6-16(14-33)20-9-15(3-4-22(20)36-2)23(34)32-18-10-17(12-30-13-18)25(26,27)28/h3-5,7,9-13,16H,6,8,14H2,1-2H3,(H,29,35)(H,32,34)
InChIKeyGSCWCBATIZVOQX-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.11
Rot. Bonds6

About 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide

4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 175983784) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID175983784
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCC(c3cc(C(=O)Nc4cncc(C(F)(F)F)c4)ccc3OC)C2)ccn1
InChIInChI=1S/C25H24F3N5O3/c1-29-24(35)21-11-19(5-7-31-21)33-8-6-16(14-33)20-9-15(3-4-22(20)36-2)23(34)32-18-10-17(12-30-13-18)25(26,27)28/h3-5,7,9-13,16H,6,8,14H2,1-2H3,(H,29,35)(H,32,34)
InChIKeyGSCWCBATIZVOQX-UHFFFAOYSA-N
XLogP4.11
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066
N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide
CID 174176081
4-methyl-3-[(3S)-1-[3-(methylamino)pyrazin-2-yl]pyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176009
3-[1-[5-(difluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174175974
N-methyl-4-[(3S)-3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 174176061
4-methyl-3-[(3S)-1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176118
4-methyl-3-[(3S)-1-(5-morpholin-4-yl-3-pyridinyl)pyrrolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170256408
3-[(3S)-1-[6-[4-(cyanomethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrrolidin-3-yl]-4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174175967
tert-butyl 3-methyl-6-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 171744116
4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174718
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376
4-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide (CID 175983784) is 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(N2CCC(c3cc(C(=O)Nc4cncc(C(F)(F)F)c4)ccc3OC)C2)ccn1.
What is the InChIKey of 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is GSCWCBATIZVOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-29-24(35)21-11-19(5-7-31-21)33-8-6-16(14-33)20-9-15(3-4-22(20)36-2)23(34)32-18-10-17(12-30-13-18)25(26,27)28/h3-5,7,9-13,16H,6,8,14H2,1-2H3,(H,29,35)(H,32,34).
What are the key properties of 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide?
4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 175983784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).