2-(butylamino)pyridine-3-carboxamide

C10H15N3O — CID 29031037

IUPAC2-(butylamino)pyridine-3-carboxamide
SMILESCCCCNc1ncccc1C(N)=O
InChIInChI=1S/C10H15N3O/c1-2-3-6-12-10-8(9(11)14)5-4-7-13-10/h4-5,7H,2-3,6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyAZCGWAOXVSJGSJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.39
Rot. Bonds5

About 2-(butylamino)pyridine-3-carboxamide

2-(butylamino)pyridine-3-carboxamide (PubChem CID 29031037) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(butylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(butylamino)pyridine-3-carboxamide
PubChem CID29031037
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(butylamino)pyridine-3-carboxamide
SMILESCCCCNc1ncccc1C(N)=O
InChIInChI=1S/C10H15N3O/c1-2-3-6-12-10-8(9(11)14)5-4-7-13-10/h4-5,7H,2-3,6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyAZCGWAOXVSJGSJ-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998213
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)pyridine-3-carboxamide?
The IUPAC name of 2-(butylamino)pyridine-3-carboxamide (CID 29031037) is 2-(butylamino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(butylamino)pyridine-3-carboxamide?
The canonical SMILES for 2-(butylamino)pyridine-3-carboxamide is CCCCNc1ncccc1C(N)=O.
What is the InChIKey of 2-(butylamino)pyridine-3-carboxamide?
The InChIKey is AZCGWAOXVSJGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-6-12-10-8(9(11)14)5-4-7-13-10/h4-5,7H,2-3,6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-(butylamino)pyridine-3-carboxamide?
2-(butylamino)pyridine-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)pyridine-3-carboxamide is sourced from PubChem (CID 29031037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).