1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid

C14H20N2O3 — CID 63316438

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)ccc1=O)C1CCCC1
InChIInChI=1S/C14H20N2O3/c1-15(12-4-2-3-5-12)8-9-16-10-11(14(18)19)6-7-13(16)17/h6-7,10,12H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyHVSQHQDMAZKATD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.42
Rot. Bonds5

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid

1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 63316438) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID63316438
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)ccc1=O)C1CCCC1
InChIInChI=1S/C14H20N2O3/c1-15(12-4-2-3-5-12)8-9-16-10-11(14(18)19)6-7-13(16)17/h6-7,10,12H,2-5,8-9H2,1H3,(H,18,19)
InChIKeyHVSQHQDMAZKATD-UHFFFAOYSA-N
XLogP1.42
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid (CID 63316438) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid is CN(CCn1cc(C(=O)O)ccc1=O)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is HVSQHQDMAZKATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(12-4-2-3-5-12)8-9-16-10-11(14(18)19)6-7-13(16)17/h6-7,10,12H,2-5,8-9H2,1H3,(H,18,19).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid?
1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 63316438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).