N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide

C25H23F3N4O2 — CID 58188235

IUPACN-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ncc(CNC(=O)c2cc(C(=O)N3CCCC3)cc(-c3ccc(C(F)(F)F)cc3)c2)cn1
InChIInChI=1S/C25H23F3N4O2/c1-16-29-13-17(14-30-16)15-31-23(33)20-10-19(18-4-6-22(7-5-18)25(26,27)28)11-21(12-20)24(34)32-8-2-3-9-32/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,31,33)
InChIKeyOYOJVVVHOMTUOU-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.64
Rot. Bonds5

About N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide

N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 58188235) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID58188235
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC NameN-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ncc(CNC(=O)c2cc(C(=O)N3CCCC3)cc(-c3ccc(C(F)(F)F)cc3)c2)cn1
InChIInChI=1S/C25H23F3N4O2/c1-16-29-13-17(14-30-16)15-31-23(33)20-10-19(18-4-6-22(7-5-18)25(26,27)28)11-21(12-20)24(34)32-8-2-3-9-32/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,31,33)
InChIKeyOYOJVVVHOMTUOU-UHFFFAOYSA-N
XLogP4.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-6-methylpyridin-1-ium-3-yl)methyl]-3-(4-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzamide;3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(pyrrolidine-1-carbonyl)benzamide
CID 162182246
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
3-(3-hydroxypyrrolidine-1-carbonyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 67053761
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58187998
3-(4-methylphenyl)-5-(5-oxa-6-azaspiro[3.4]oct-6-en-7-yl)-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]benzamide
CID 42632886
3-(1-hydroxy-2-pyrrolidin-1-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58188361
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 45137636
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 54596690
[3-(4-methylphenyl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]phenyl]methanesulfinate
CID 174733775
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide (CID 58188235) is N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide is Cc1ncc(CNC(=O)c2cc(C(=O)N3CCCC3)cc(-c3ccc(C(F)(F)F)cc3)c2)cn1.
What is the InChIKey of N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OYOJVVVHOMTUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-16-29-13-17(14-30-16)15-31-23(33)20-10-19(18-4-6-22(7-5-18)25(26,27)28)11-21(12-20)24(34)32-8-2-3-9-32/h4-7,10-14H,2-3,8-9,15H2,1H3,(H,31,33).
What are the key properties of N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide?
N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 468.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58188235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).