1-amino-3-butoxy-4-oxopyridine-2-carboxamide

C10H15N3O3 — CID 70820351

IUPAC1-amino-3-butoxy-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(N)=O)n(N)ccc1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-6-16-9-7(14)4-5-13(12)8(9)10(11)15/h4-5H,2-3,6,12H2,1H3,(H2,11,15)
InChIKeyZPKZQDAIOHSDLD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.16
Rot. Bonds5

About 1-amino-3-butoxy-4-oxopyridine-2-carboxamide

1-amino-3-butoxy-4-oxopyridine-2-carboxamide (PubChem CID 70820351) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-amino-3-butoxy-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-3-butoxy-4-oxopyridine-2-carboxamide
PubChem CID70820351
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-amino-3-butoxy-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(N)=O)n(N)ccc1=O
InChIInChI=1S/C10H15N3O3/c1-2-3-6-16-9-7(14)4-5-13(12)8(9)10(11)15/h4-5H,2-3,6,12H2,1H3,(H2,11,15)
InChIKeyZPKZQDAIOHSDLD-UHFFFAOYSA-N
XLogP-0.16
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-butoxy-4-oxo-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-2-carboxamide
CID 89715918
3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 67471510
1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide
CID 67471513
1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide
CID 67471777
1-amino-3-butoxy-N-cyclopropyl-4-oxopyridine-2-carboxamide
CID 68074287
1-Amino-3-ethoxy-2-methylpyridin-4-one
CID 68976232
3-butoxy-4-oxo-1H-pyridine-2-carboxamide
CID 70820350
1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide
CID 70848482
3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide
CID 70848524
1-amino-3-butoxy-N-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
CID 89715732
1-Amino-3-methoxy-N-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 162689055
3-Methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide
CID 167469397

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butoxy-4-oxopyridine-2-carboxamide?
The IUPAC name of 1-amino-3-butoxy-4-oxopyridine-2-carboxamide (CID 70820351) is 1-amino-3-butoxy-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-amino-3-butoxy-4-oxopyridine-2-carboxamide?
The canonical SMILES for 1-amino-3-butoxy-4-oxopyridine-2-carboxamide is CCCCOc1c(C(N)=O)n(N)ccc1=O.
What is the InChIKey of 1-amino-3-butoxy-4-oxopyridine-2-carboxamide?
The InChIKey is ZPKZQDAIOHSDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-6-16-9-7(14)4-5-13(12)8(9)10(11)15/h4-5H,2-3,6,12H2,1H3,(H2,11,15).
What are the key properties of 1-amino-3-butoxy-4-oxopyridine-2-carboxamide?
1-amino-3-butoxy-4-oxopyridine-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butoxy-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 70820351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).