N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide

C13H21N3O3 — CID 79667981

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H21N3O3/c1-4-16(8-13(2,3)7-14)12(19)9-5-10(17)15-11(18)6-9/h5-6H,4,7-8,14H2,1-3H3,(H2,15,17,18)
InChIKeyXLZDBHXOWYWHFC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.53
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 79667981) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
PubChem CID79667981
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H21N3O3/c1-4-16(8-13(2,3)7-14)12(19)9-5-10(17)15-11(18)6-9/h5-6H,4,7-8,14H2,1-3H3,(H2,15,17,18)
InChIKeyXLZDBHXOWYWHFC-UHFFFAOYSA-N
XLogP0.53
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 79668317
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 107483356
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
N-(3-amino-2,2-dimethylpropyl)-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79667847
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethyl-4-methylthiophene-2-carboxamide
CID 79996289
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
N-(3-amino-2,2-dimethylpropyl)-4-hydroxy-3-methyl-N-propylbenzamide
CID 107672177
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide (CID 79667981) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide is CCN(CC(C)(C)CN)C(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is XLZDBHXOWYWHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-16(8-13(2,3)7-14)12(19)9-5-10(17)15-11(18)6-9/h5-6H,4,7-8,14H2,1-3H3,(H2,15,17,18).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 79667981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).