2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid

C25H32N2O4 — CID 11704532

IUPAC2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N(C)c2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O
InChIInChI=1S/C25H32N2O4/c1-3-9-20(23(29)30)16-25(14-7-8-15-25)24(31)26(2)21-12-13-22(28)27(18-21)17-19-10-5-4-6-11-19/h4-6,10-13,18,20H,3,7-9,14-17H2,1-2H3,(H,29,30)
InChIKeyJUANZNOPGNGJMD-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.31
Rot. Bonds9

About 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11704532) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11704532
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N(C)c2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O
InChIInChI=1S/C25H32N2O4/c1-3-9-20(23(29)30)16-25(14-7-8-15-25)24(31)26(2)21-12-13-22(28)27(18-21)17-19-10-5-4-6-11-19/h4-6,10-13,18,20H,3,7-9,14-17H2,1-2H3,(H,29,30)
InChIKeyJUANZNOPGNGJMD-UHFFFAOYSA-N
XLogP4.31
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11704532) is 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)N(C)c2ccc(=O)n(Cc3ccccc3)c2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is JUANZNOPGNGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-3-9-20(23(29)30)16-25(14-7-8-15-25)24(31)26(2)21-12-13-22(28)27(18-21)17-19-10-5-4-6-11-19/h4-6,10-13,18,20H,3,7-9,14-17H2,1-2H3,(H,29,30).
What are the key properties of 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 424.54 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-benzyl-6-oxo-3-pyridinyl)-methylcarbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11704532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).