5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid

C13H17N3O3 — CID 63154190

IUPAC5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CNC1CCCC1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O3/c17-12(8-15-10-3-1-2-4-10)16-11-5-9(13(18)19)6-14-7-11/h5-7,10,15H,1-4,8H2,(H,16,17)(H,18,19)
InChIKeyPYXJSGGFYWETQH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.25
Rot. Bonds5

About 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid

5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 63154190) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID63154190
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CNC1CCCC1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O3/c17-12(8-15-10-3-1-2-4-10)16-11-5-9(13(18)19)6-14-7-11/h5-7,10,15H,1-4,8H2,(H,16,17)(H,18,19)
InChIKeyPYXJSGGFYWETQH-UHFFFAOYSA-N
XLogP1.25
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid (CID 63154190) is 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid is O=C(CNC1CCCC1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is PYXJSGGFYWETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(8-15-10-3-1-2-4-10)16-11-5-9(13(18)19)6-14-7-11/h5-7,10,15H,1-4,8H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid?
5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopentylamino)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).