6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide

C13H21N3O2 — CID 78958778

IUPAC6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(C)(O)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-5-13(2,18)9-15-11-7-6-10(8-14-11)12(17)16(3)4/h6-8,18H,5,9H2,1-4H3,(H,14,15)
InChIKeyMXHJRXSZYZQOCG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.36
Rot. Bonds5

About 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide

6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 78958778) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID78958778
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCC(C)(O)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-5-13(2,18)9-15-11-7-6-10(8-14-11)12(17)16(3)4/h6-8,18H,5,9H2,1-4H3,(H,14,15)
InChIKeyMXHJRXSZYZQOCG-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 103844430
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
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
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
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide (CID 78958778) is 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide is CCC(C)(O)CNc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is MXHJRXSZYZQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-13(2,18)9-15-11-7-6-10(8-14-11)12(17)16(3)4/h6-8,18H,5,9H2,1-4H3,(H,14,15).
What are the key properties of 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide?
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 78958778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).