1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid

C14H19NO3 — CID 115434520

IUPAC1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(=O)cc(C)n1CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO3/c1-10-7-12(16)8-11(2)15(10)9-14(13(17)18)5-3-4-6-14/h7-8H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyPXAVVYOWWXDAPO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.11
Rot. Bonds3

About 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid

1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434520) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID115434520
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(=O)cc(C)n1CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H19NO3/c1-10-7-12(16)8-11(2)15(10)9-14(13(17)18)5-3-4-6-14/h7-8H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyPXAVVYOWWXDAPO-UHFFFAOYSA-N
XLogP2.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid (CID 115434520) is 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid is Cc1cc(=O)cc(C)n1CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is PXAVVYOWWXDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-7-12(16)8-11(2)15(10)9-14(13(17)18)5-3-4-6-14/h7-8H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid?
1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethyl-4-oxo-1-pyridinyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).