6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide

C15H25N3O2 — CID 103844430

IUPAC6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(CC)(CO)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C15H25N3O2/c1-5-15(6-2,11-19)10-17-13-8-7-12(9-16-13)14(20)18(3)4/h7-9,19H,5-6,10-11H2,1-4H3,(H,16,17)
InChIKeyBXQFULYBASTEJM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.99
Rot. Bonds7

About 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 103844430) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID103844430
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(CC)(CO)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C15H25N3O2/c1-5-15(6-2,11-19)10-17-13-8-7-12(9-16-13)14(20)18(3)4/h7-9,19H,5-6,10-11H2,1-4H3,(H,16,17)
InChIKeyBXQFULYBASTEJM-UHFFFAOYSA-N
XLogP1.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430029
6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 111435885
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737
N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909

Frequently Asked Questions

What is the IUPAC name of 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 103844430) is 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide is CCC(CC)(CO)CNc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is BXQFULYBASTEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-15(6-2,11-19)10-17-13-8-7-12(9-16-13)14(20)18(3)4/h7-9,19H,5-6,10-11H2,1-4H3,(H,16,17).
What are the key properties of 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 103844430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).