6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid

C14H19N3O3 — CID 80632655

IUPAC6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H19N3O3/c1-9-6-10(14(19)20)7-16-13(9)17(8-12(15)18)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyFHGQBRHNYZPIQA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.32
Rot. Bonds5

About 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid

6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid (PubChem CID 80632655) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
PubChem CID80632655
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H19N3O3/c1-9-6-10(14(19)20)7-16-13(9)17(8-12(15)18)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyFHGQBRHNYZPIQA-UHFFFAOYSA-N
XLogP1.32
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid (CID 80632655) is 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1N(CC(N)=O)C1CCCC1.
What is the InChIKey of 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid?
The InChIKey is FHGQBRHNYZPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-6-10(14(19)20)7-16-13(9)17(8-12(15)18)11-4-2-3-5-11/h6-7,11H,2-5,8H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid?
6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-oxoethyl)-cyclopentylamino]-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 80632655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).