3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide

C25H25N3O2 — CID 45137636

IUPAC3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-5-9-20(10-6-17)21-12-22(14-23(13-21)28-11-3-4-24(28)29)25(30)27-16-19-8-7-18(2)26-15-19/h5-10,12-15H,3-4,11,16H2,1-2H3,(H,27,30)
InChIKeyMKDOYTBHFMZMIN-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.42
Rot. Bonds5

About 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide

3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 45137636) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID45137636
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-5-9-20(10-6-17)21-12-22(14-23(13-21)28-11-3-4-24(28)29)25(30)27-16-19-8-7-18(2)26-15-19/h5-10,12-15H,3-4,11,16H2,1-2H3,(H,27,30)
InChIKeyMKDOYTBHFMZMIN-UHFFFAOYSA-N
XLogP4.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45137948
3-N,3-N-dimethyl-5-(4-methylphenyl)-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,3-dicarboxamide
CID 58188040
3-(1-hydroxy-2-pyrrolidin-1-ylethyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 58188361
3-(3-hydroxypyrrolidine-1-carbonyl)-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 67053761
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
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-ethylphenyl)-5-[4-(hydroxymethyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959958
3-(4-hydroxyoxolan-3-yl)oxy-5-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143859768
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 45136907
methyl-methylidene-[3-[3-(4-methylphenyl)-5-[(6-methyl-3-pyridinyl)methylcarbamoyl]phenyl]phenyl]azanium
CID 91550432

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide (CID 45137636) is 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(-c2cc(C(=O)NCc3ccc(C)nc3)cc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MKDOYTBHFMZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-5-9-20(10-6-17)21-12-22(14-23(13-21)28-11-3-4-24(28)29)25(30)27-16-19-8-7-18(2)26-15-19/h5-10,12-15H,3-4,11,16H2,1-2H3,(H,27,30).
What are the key properties of 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide?
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 45137636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).