1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide

C13H21N3O3 — CID 67471777

IUPAC1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)n(N)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-8-19-12-10(17)6-7-16(14)11(12)13(18)15-9(2)3/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,18)
InChIKeyFRWVEUHJKHSWJQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.88
Rot. Bonds6

About 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide

1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 67471777) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide
PubChem CID67471777
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC(C)C)n(N)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-8-19-12-10(17)6-7-16(14)11(12)13(18)15-9(2)3/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,18)
InChIKeyFRWVEUHJKHSWJQ-UHFFFAOYSA-N
XLogP0.88
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.88
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
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-N-cyclopropyl-4-oxopyridine-2-carboxamide
CID 68074287
3-butoxy-N-cyclopropyl-4-oxo-1H-pyridine-2-carboxamide
CID 68074288
5-Butoxy-3-propan-2-yl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 68074892
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

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide (CID 67471777) is 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide is CCCCOc1c(C(=O)NC(C)C)n(N)ccc1=O.
What is the InChIKey of 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is FRWVEUHJKHSWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-5-8-19-12-10(17)6-7-16(14)11(12)13(18)15-9(2)3/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,18).
What are the key properties of 1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide?
1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.88, 6 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-oxo-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 67471777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).