N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C94H89F15N12O9 — CID 157314610

IUPACN,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNC(=O)c1c(C)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1C#N.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CO.O=C1CCCN1Cc1ccc(-c2ccc(CO)c(C(F)(F)F)n2)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1
InChIInChI=1S/C20H20F3N3O2.C19H16F3N3O.C19H19F3N2O2.2C18H17F3N2O2/c1-12-10-15(20(21,22)23)25-18(17(12)19(28)24-2)14-7-5-13(6-8-14)11-26-9-3-4-16(26)27;1-12-9-16(19(20,21)22)24-18(15(12)10-23)14-6-4-13(5-7-14)11-25-8-2-3-17(25)26;1-12-9-16(19(20,21)22)23-18(15(12)11-25)14-6-4-13(5-7-14)10-24-8-2-3-17(24)26;19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25;19-18(20,21)17-14(11-24)7-8-15(22-17)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25/h5-8,10H,3-4,9,11H2,1-2H3,(H,24,28);4-7,9H,2-3,8,11H2,1H3;4-7,9,25H,2-3,8,10-11H2,1H3;2*3-8,24H,1-2,9-11H2
InChIKeyBDLFEPINRFHZRQ-UHFFFAOYSA-N
MW1815.79 g/mol
LogP18.08
Rot. Bonds19

About N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 157314610) has the molecular formula C94H89F15N12O9 and a molecular weight of 1815.79 g/mol. Its IUPAC name is N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound NameN,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID157314610
Molecular FormulaC94H89F15N12O9
Molecular Weight1815.79 g/mol
Exact Mass1814.66
IUPAC NameN,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNC(=O)c1c(C)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1C#N.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CO.O=C1CCCN1Cc1ccc(-c2ccc(CO)c(C(F)(F)F)n2)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1
InChIInChI=1S/C20H20F3N3O2.C19H16F3N3O.C19H19F3N2O2.2C18H17F3N2O2/c1-12-10-15(20(21,22)23)25-18(17(12)19(28)24-2)14-7-5-13(6-8-14)11-26-9-3-4-16(26)27;1-12-9-16(19(20,21)22)24-18(15(12)10-23)14-6-4-13(5-7-14)11-25-8-2-3-17(25)26;1-12-9-16(19(20,21)22)23-18(15(12)11-25)14-6-4-13(5-7-14)10-24-8-2-3-17(24)26;19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25;19-18(20,21)17-14(11-24)7-8-15(22-17)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25/h5-8,10H,3-4,9,11H2,1-2H3,(H,24,28);4-7,9H,2-3,8,11H2,1H3;4-7,9,25H,2-3,8,10-11H2,1H3;2*3-8,24H,1-2,9-11H2
InChIKeyBDLFEPINRFHZRQ-UHFFFAOYSA-N
XLogP18.08
TPSA279.58 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.79
LogP ≤ 518.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

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Related Compounds

4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 153337807
4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 153337829
1-[[4-[3-(Hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile;2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 157139933
N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 158272874
4-[[1-[[4-[3-(hydroxymethyl)-4-[[2-oxo-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162613134

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 157314610) is N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile is CNC(=O)c1c(C)cc(C(F)(F)F)nc1-c1ccc(CN2CCCC2=O)cc1.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1C#N.Cc1cc(C(F)(F)F)nc(-c2ccc(CN3CCCC3=O)cc2)c1CO.O=C1CCCN1Cc1ccc(-c2ccc(CO)c(C(F)(F)F)n2)cc1.O=C1CCCN1Cc1ccc(-c2nc(C(F)(F)F)ccc2CO)cc1.
What is the InChIKey of N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BDLFEPINRFHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2.C19H16F3N3O.C19H19F3N2O2.2C18H17F3N2O2/c1-12-10-15(20(21,22)23)25-18(17(12)19(28)24-2)14-7-5-13(6-8-14)11-26-9-3-4-16(26)27;1-12-9-16(19(20,21)22)24-18(15(12)10-23)14-6-4-13(5-7-14)11-25-8-2-3-17(25)26;1-12-9-16(19(20,21)22)23-18(15(12)11-25)14-6-4-13(5-7-14)10-24-8-2-3-17(24)26;19-18(20,21)15-8-7-14(11-24)17(22-15)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25;19-18(20,21)17-14(11-24)7-8-15(22-17)13-5-3-12(4-6-13)10-23-9-1-2-16(23)25/h5-8,10H,3-4,9,11H2,1-2H3,(H,24,28);4-7,9H,2-3,8,11H2,1H3;4-7,9,25H,2-3,8,10-11H2,1H3;2*3-8,24H,1-2,9-11H2.
What are the key properties of N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 1815.79 g/mol, XLogP of 18.08, 19 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;1-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 157314610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).