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

C11H17N3O3 — CID 67471513

IUPAC1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC)n(N)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-4-7-17-10-8(15)5-6-14(12)9(10)11(16)13-2/h5-6H,3-4,7,12H2,1-2H3,(H,13,16)
InChIKeySEDLFGCGGFIGFB-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.10
Rot. Bonds5

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

1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide (PubChem CID 67471513) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide
PubChem CID67471513
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC)n(N)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-3-4-7-17-10-8(15)5-6-14(12)9(10)11(16)13-2/h5-6H,3-4,7,12H2,1-2H3,(H,13,16)
InChIKeySEDLFGCGGFIGFB-UHFFFAOYSA-N
XLogP0.10
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.10
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
Ethyl 3-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]propanoate
CID 67471520
tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
CID 67471526
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
3-butoxy-N-cyclopropyl-4-oxo-1H-pyridine-2-carboxamide
CID 68074288
3-butoxy-2-(pyrazolidine-1-carbonyl)-1H-pyridin-4-one
CID 68096648
1-amino-3-butoxy-N-(4,4-dimethoxybutyl)-4-oxopyridine-2-carboxamide
CID 68096739
3-butoxy-4-oxo-1H-pyridine-2-carboxamide
CID 70820350
1-Amino-3-butoxy-4-oxopyridine-2-carboxamide
CID 70820351
1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide
CID 70848482

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide (CID 67471513) is 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide is CCCCOc1c(C(=O)NC)n(N)ccc1=O.
What is the InChIKey of 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is SEDLFGCGGFIGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-7-17-10-8(15)5-6-14(12)9(10)11(16)13-2/h5-6H,3-4,7,12H2,1-2H3,(H,13,16).
What are the key properties of 1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide?
1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.10, 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-N-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 67471513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).