2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

C24H30N2O3 — CID 11661185

IUPAC2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2cc(Cc3ccccc3)ccn2)CCCC1)C(=O)O
InChIInChI=1S/C24H30N2O3/c1-2-8-20(22(27)28)17-24(12-6-7-13-24)23(29)26-21-16-19(11-14-25-21)15-18-9-4-3-5-10-18/h3-5,9-11,14,16,20H,2,6-8,12-13,15,17H2,1H3,(H,27,28)(H,25,26,29)
InChIKeyTZGRGYIVZRTXNF-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.06
Rot. Bonds9

About 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11661185) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11661185
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2cc(Cc3ccccc3)ccn2)CCCC1)C(=O)O
InChIInChI=1S/C24H30N2O3/c1-2-8-20(22(27)28)17-24(12-6-7-13-24)23(29)26-21-16-19(11-14-25-21)15-18-9-4-3-5-10-18/h3-5,9-11,14,16,20H,2,6-8,12-13,15,17H2,1H3,(H,27,28)(H,25,26,29)
InChIKeyTZGRGYIVZRTXNF-UHFFFAOYSA-N
XLogP5.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11661185) is 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)Nc2cc(Cc3ccccc3)ccn2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is TZGRGYIVZRTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-8-20(22(27)28)17-24(12-6-7-13-24)23(29)26-21-16-19(11-14-25-21)15-18-9-4-3-5-10-18/h3-5,9-11,14,16,20H,2,6-8,12-13,15,17H2,1H3,(H,27,28)(H,25,26,29).
What are the key properties of 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 394.52 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-benzyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11661185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).