N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide

C12H18N2O3 — CID 79652485

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H18N2O3/c1-12(2,7-13)8-14(3)11(16)9-4-5-10(15)17-6-9/h4-6H,7-8,13H2,1-3H3
InChIKeyATOJLVJLZXPEKN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.70
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide (PubChem CID 79652485) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
PubChem CID79652485
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H18N2O3/c1-12(2,7-13)8-14(3)11(16)9-4-5-10(15)17-6-9/h4-6H,7-8,13H2,1-3H3
InChIKeyATOJLVJLZXPEKN-UHFFFAOYSA-N
XLogP0.70
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401
2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid
CID 24701632
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
CID 119656442
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119654023

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide (CID 79652485) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide is CN(CC(C)(C)CN)C(=O)c1ccc(=O)oc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide?
The InChIKey is ATOJLVJLZXPEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,7-13)8-14(3)11(16)9-4-5-10(15)17-6-9/h4-6H,7-8,13H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 79652485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).