4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide

C13H21N3O2 — CID 63962759

IUPAC4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCC(C)(O)CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-5-13(2,18)9-15-10-6-7-14-11(8-10)12(17)16(3)4/h6-8,18H,5,9H2,1-4H3,(H,14,15)
InChIKeyBSQRCWVHYYZFMK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.36
Rot. Bonds5

About 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide

4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 63962759) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID63962759
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCC(C)(O)CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-5-13(2,18)9-15-10-6-7-14-11(8-10)12(17)16(3)4/h6-8,18H,5,9H2,1-4H3,(H,14,15)
InChIKeyBSQRCWVHYYZFMK-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

4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
CID 43402718
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N,N-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxamide
CID 63828084
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
4-[(1-methoxy-2-methylpropan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113470431
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide (CID 63962759) is 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide is CCC(C)(O)CNc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is BSQRCWVHYYZFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-13(2,18)9-15-10-6-7-14-11(8-10)12(17)16(3)4/h6-8,18H,5,9H2,1-4H3,(H,14,15).
What are the key properties of 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide?
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-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 4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 63962759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).