2-(4-aminobutylamino)pyridine-3-carboxamide

C10H16N4O — CID 54122437

IUPAC2-(4-aminobutylamino)pyridine-3-carboxamide
SMILESNCCCCNc1ncccc1C(N)=O
InChIInChI=1S/C10H16N4O/c11-5-1-2-6-13-10-8(9(12)15)4-3-7-14-10/h3-4,7H,1-2,5-6,11H2,(H2,12,15)(H,13,14)
InChIKeyNORDWRJHMCXRLS-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.33
Rot. Bonds6

About 2-(4-aminobutylamino)pyridine-3-carboxamide

2-(4-aminobutylamino)pyridine-3-carboxamide (PubChem CID 54122437) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-(4-aminobutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-aminobutylamino)pyridine-3-carboxamide
PubChem CID54122437
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name2-(4-aminobutylamino)pyridine-3-carboxamide
SMILESNCCCCNc1ncccc1C(N)=O
InChIInChI=1S/C10H16N4O/c11-5-1-2-6-13-10-8(9(12)15)4-3-7-14-10/h3-4,7H,1-2,5-6,11H2,(H2,12,15)(H,13,14)
InChIKeyNORDWRJHMCXRLS-UHFFFAOYSA-N
XLogP0.33
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-(4-aminobutylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(4-aminobutylamino)pyridine-3-carboxamide (CID 54122437) is 2-(4-aminobutylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-aminobutylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-aminobutylamino)pyridine-3-carboxamide is NCCCCNc1ncccc1C(N)=O.
What is the InChIKey of 2-(4-aminobutylamino)pyridine-3-carboxamide?
The InChIKey is NORDWRJHMCXRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-5-1-2-6-13-10-8(9(12)15)4-3-7-14-10/h3-4,7H,1-2,5-6,11H2,(H2,12,15)(H,13,14).
What are the key properties of 2-(4-aminobutylamino)pyridine-3-carboxamide?
2-(4-aminobutylamino)pyridine-3-carboxamide has a molecular weight of 208.27 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 54122437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).