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

C25H24F3N5O2 — CID 174176081

IUPACN-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccncc1N1CCC(c2cc(C(=O)Nc3cncc(C(F)(F)F)c3)ccc2C)C1
InChIInChI=1S/C25H24F3N5O2/c1-15-3-4-16(23(34)32-19-10-18(11-31-12-19)25(26,27)28)9-21(15)17-6-8-33(14-17)22-13-30-7-5-20(22)24(35)29-2/h3-5,7,9-13,17H,6,8,14H2,1-2H3,(H,29,35)(H,32,34)
InChIKeyFZNZRCXBMHXZPA-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.41
Rot. Bonds5

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

N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide (PubChem CID 174176081) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide
PubChem CID174176081
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC NameN-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccncc1N1CCC(c2cc(C(=O)Nc3cncc(C(F)(F)F)c3)ccc2C)C1
InChIInChI=1S/C25H24F3N5O2/c1-15-3-4-16(23(34)32-19-10-18(11-31-12-19)25(26,27)28)9-21(15)17-6-8-33(14-17)22-13-30-7-5-20(22)24(35)29-2/h3-5,7,9-13,17H,6,8,14H2,1-2H3,(H,29,35)(H,32,34)
InChIKeyFZNZRCXBMHXZPA-UHFFFAOYSA-N
XLogP4.41
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[(3S)-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174176066
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-[3-[2-methoxy-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 175983784
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-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170172203
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
4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)amino]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174761
4-methyl-3-(1-pyrazin-2-ylazetidin-3-yl)oxy-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174718
4-methyl-3-[(1-pyrazolo[1,5-a]pyrazin-3-ylazetidin-3-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174174766

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide (CID 174176081) is N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide is CNC(=O)c1ccncc1N1CCC(c2cc(C(=O)Nc3cncc(C(F)(F)F)c3)ccc2C)C1.
What is the InChIKey of N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide?
The InChIKey is FZNZRCXBMHXZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-15-3-4-16(23(34)32-19-10-18(11-31-12-19)25(26,27)28)9-21(15)17-6-8-33(14-17)22-13-30-7-5-20(22)24(35)29-2/h3-5,7,9-13,17H,6,8,14H2,1-2H3,(H,29,35)(H,32,34).
What are the key properties of N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide?
N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-[2-methyl-5-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]phenyl]pyrrolidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 174176081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).