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

C24H23N3O3 — CID 55787787

IUPACN-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cn2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-4-11-21(12-5-17)30-22-13-10-20(15-25-22)26-24(29)19-8-6-18(7-9-19)16-27-14-2-3-23(27)28/h4-13,15H,2-3,14,16H2,1H3,(H,26,29)
InChIKeyWOPKXCIJJIICDH-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.56
Rot. Bonds6

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

N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55787787) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55787787
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cn2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-4-11-21(12-5-17)30-22-13-10-20(15-25-22)26-24(29)19-8-6-18(7-9-19)16-27-14-2-3-23(27)28/h4-13,15H,2-3,14,16H2,1H3,(H,26,29)
InChIKeyWOPKXCIJJIICDH-UHFFFAOYSA-N
XLogP4.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55787787) is N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccc(Oc2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cn2)cc1.
What is the InChIKey of N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is WOPKXCIJJIICDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-4-11-21(12-5-17)30-22-13-10-20(15-25-22)26-24(29)19-8-6-18(7-9-19)16-27-14-2-3-23(27)28/h4-13,15H,2-3,14,16H2,1H3,(H,26,29).
What are the key properties of N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenoxy)-3-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55787787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).