6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C29H30F3N3O3 — CID 127053916

IUPAC6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cn1C(C)C
InChIInChI=1S/C29H30F3N3O3/c1-18(2)35-17-24(27(37)26(19(35)3)22-6-4-7-23(14-22)29(30,31)32)28(38)33-15-20-9-11-21(12-10-20)16-34-13-5-8-25(34)36/h4,6-7,9-12,14,17-18H,5,8,13,15-16H2,1-3H3,(H,33,38)
InChIKeyGVZLHJFVWYZJOL-UHFFFAOYSA-N
MW525.57 g/mol
LogP5.48
Rot. Bonds7

About 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 127053916) has the molecular formula C29H30F3N3O3 and a molecular weight of 525.57 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID127053916
Molecular FormulaC29H30F3N3O3
Molecular Weight525.57 g/mol
Exact Mass525.22
IUPAC Name6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cn1C(C)C
InChIInChI=1S/C29H30F3N3O3/c1-18(2)35-17-24(27(37)26(19(35)3)22-6-4-7-23(14-22)29(30,31)32)28(38)33-15-20-9-11-21(12-10-20)16-34-13-5-8-25(34)36/h4,6-7,9-12,14,17-18H,5,8,13,15-16H2,1-3H3,(H,33,38)
InChIKeyGVZLHJFVWYZJOL-UHFFFAOYSA-N
XLogP5.48
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 127053916) is 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1c(-c2cccc(C(F)(F)F)c2)c(=O)c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cn1C(C)C.
What is the InChIKey of 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GVZLHJFVWYZJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O3/c1-18(2)35-17-24(27(37)26(19(35)3)22-6-4-7-23(14-22)29(30,31)32)28(38)33-15-20-9-11-21(12-10-20)16-34-13-5-8-25(34)36/h4,6-7,9-12,14,17-18H,5,8,13,15-16H2,1-3H3,(H,33,38).
What are the key properties of 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 525.57 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 127053916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).