N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H15F3N4O2 — CID 122162248

IUPACN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2=O)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)13-4-3-12(10-22-13)16(26)23-9-11-5-6-21-14(8-11)24-7-1-2-15(24)25/h3-6,8,10H,1-2,7,9H2,(H,23,26)
InChIKeyAUPHUCOKHDGPKY-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.55
Rot. Bonds4

About N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 122162248) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID122162248
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2=O)c1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)13-4-3-12(10-22-13)16(26)23-9-11-5-6-21-14(8-11)24-7-1-2-15(24)25/h3-6,8,10H,1-2,7,9H2,(H,23,26)
InChIKeyAUPHUCOKHDGPKY-UHFFFAOYSA-N
XLogP2.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122246103
3-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246109
4-acetyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 122246136
4-methyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]thiophene-2-carboxamide
CID 122246051
2-methylsulfanyl-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]benzamide
CID 122246057
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122246090
3-(2-methylphenyl)-N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]propanamide
CID 122246073
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122317863
benzyl N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methylamino]ethyl]carbamate
CID 122246102
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87005288
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 122162248) is N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccnc(N2CCCC2=O)c1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AUPHUCOKHDGPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)13-4-3-12(10-22-13)16(26)23-9-11-5-6-21-14(8-11)24-7-1-2-15(24)25/h3-6,8,10H,1-2,7,9H2,(H,23,26).
What are the key properties of N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122162248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).