1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide

C13H22N4O3 — CID 70848482

IUPAC1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCCNC)n(N)ccc1=O
InChIInChI=1S/C13H22N4O3/c1-3-4-9-20-12-10(18)5-8-17(14)11(12)13(19)16-7-6-15-2/h5,8,15H,3-4,6-7,9,14H2,1-2H3,(H,16,19)
InChIKeyBEPQJHJDFHZPSD-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.31
Rot. Bonds8

About 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide

1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide (PubChem CID 70848482) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide
PubChem CID70848482
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCCNC)n(N)ccc1=O
InChIInChI=1S/C13H22N4O3/c1-3-4-9-20-12-10(18)5-8-17(14)11(12)13(19)16-7-6-15-2/h5,8,15H,3-4,6-7,9,14H2,1-2H3,(H,16,19)
InChIKeyBEPQJHJDFHZPSD-UHFFFAOYSA-N
XLogP-0.31
TPSA98.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-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

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide?
The IUPAC name of 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide (CID 70848482) is 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide?
The canonical SMILES for 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide is CCCCOc1c(C(=O)NCCNC)n(N)ccc1=O.
What is the InChIKey of 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide?
The InChIKey is BEPQJHJDFHZPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-4-9-20-12-10(18)5-8-17(14)11(12)13(19)16-7-6-15-2/h5,8,15H,3-4,6-7,9,14H2,1-2H3,(H,16,19).
What are the key properties of 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide?
1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 70848482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).