5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid

C9H13N5O3 — CID 83115123

IUPAC5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
SMILESNC(=O)NCCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C9H13N5O3/c10-6-3-5(8(15)16)4-14-7(6)12-1-2-13-9(11)17/h3-4H,1-2,10H2,(H,12,14)(H,15,16)(H3,11,13,17)
InChIKeyHXVPZMPOUQMRLF-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.56
Rot. Bonds5

About 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid

5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid (PubChem CID 83115123) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
PubChem CID83115123
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
SMILESNC(=O)NCCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C9H13N5O3/c10-6-3-5(8(15)16)4-14-7(6)12-1-2-13-9(11)17/h3-4H,1-2,10H2,(H,12,14)(H,15,16)(H3,11,13,17)
InChIKeyHXVPZMPOUQMRLF-UHFFFAOYSA-N
XLogP-0.56
TPSA143.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid (CID 83115123) is 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid is NC(=O)NCCNc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is HXVPZMPOUQMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-6-3-5(8(15)16)4-14-7(6)12-1-2-13-9(11)17/h3-4H,1-2,10H2,(H,12,14)(H,15,16)(H3,11,13,17).
What are the key properties of 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid?
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.56, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 83115123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).