3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide

C12H19N3O3 — CID 70848524

IUPAC3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC)n(NC)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-4-5-8-18-11-9(16)6-7-15(14-3)10(11)12(17)13-2/h6-7,14H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyOSAGLUFKHYWSEH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.56
Rot. Bonds6

About 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide

3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide (PubChem CID 70848524) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide
PubChem CID70848524
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC)n(NC)ccc1=O
InChIInChI=1S/C12H19N3O3/c1-4-5-8-18-11-9(16)6-7-15(14-3)10(11)12(17)13-2/h6-7,14H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyOSAGLUFKHYWSEH-UHFFFAOYSA-N
XLogP0.56
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.56
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

CID 89715918
CID 89715918
CID 67471510
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CID 67471513
CID 67471513
CID 67471520
CID 67471520
CID 67471526
CID 67471526
CID 67471777
CID 67471777
CID 68074287
CID 68074287
CID 68074288
CID 68074288
CID 68096648
CID 68096648
CID 70820350
CID 70820350
CID 70820351
CID 70820351
CID 70848482
CID 70848482

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide?
The IUPAC name of 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide (CID 70848524) is 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide is CCCCOc1c(C(=O)NC)n(NC)ccc1=O.
What is the InChIKey of 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide?
The InChIKey is OSAGLUFKHYWSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-8-18-11-9(16)6-7-15(14-3)10(11)12(17)13-2/h6-7,14H,4-5,8H2,1-3H3,(H,13,17).
What are the key properties of 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide?
3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-methyl-1-(methylamino)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 70848524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).