5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide

C14H23N3O — CID 61105565

IUPAC5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9-12(7-11(15)8-16-9)13(18)17(6)10(2)14(3,4)5/h7-8,10H,15H2,1-6H3
InChIKeyWSGRPCCWKBJVOV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds2

About 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide

5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide (PubChem CID 61105565) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide
PubChem CID61105565
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-9-12(7-11(15)8-16-9)13(18)17(6)10(2)14(3,4)5/h7-8,10H,15H2,1-6H3
InChIKeyWSGRPCCWKBJVOV-UHFFFAOYSA-N
XLogP2.48
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpyridine-3-carboxamide
CID 61113866
5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 61106135
5-amino-N-ethyl-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61040071
5-amino-N-ethyl-2-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 79477889
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61108035
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide
CID 81243343
5-amino-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 55006975
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 54917156
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106033015
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61107661

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide (CID 61105565) is 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is WSGRPCCWKBJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9-12(7-11(15)8-16-9)13(18)17(6)10(2)14(3,4)5/h7-8,10H,15H2,1-6H3.
What are the key properties of 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide?
5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 61105565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).