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

C19H18F3N3O2 — CID 95715611

IUPAC4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H18F3N3O2/c1-12-6-7-23-9-15(12)18(27)24-14-8-17(26)25(11-14)10-13-4-2-3-5-16(13)19(20,21)22/h2-7,9,14H,8,10-11H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyUJRPAMFIGYHLAM-CQSZACIVSA-N
MW377.37 g/mol
LogP2.94
Rot. Bonds4

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

4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 95715611) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID95715611
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C19H18F3N3O2/c1-12-6-7-23-9-15(12)18(27)24-14-8-17(26)25(11-14)10-13-4-2-3-5-16(13)19(20,21)22/h2-7,9,14H,8,10-11H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyUJRPAMFIGYHLAM-CQSZACIVSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 95715611) is 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is Cc1ccncc1C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is UJRPAMFIGYHLAM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-12-6-7-23-9-15(12)18(27)24-14-8-17(26)25(11-14)10-13-4-2-3-5-16(13)19(20,21)22/h2-7,9,14H,8,10-11H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95715611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).