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

C16H27N3O2 — CID 111435885

IUPAC6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-5-9-16(21,10-6-2)12-18-14-8-7-13(11-17-14)15(20)19(3)4/h7-8,11,21H,5-6,9-10,12H2,1-4H3,(H,17,18)
InChIKeyTWTYBWDWACCMBM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.53
Rot. Bonds8

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

6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 111435885) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID111435885
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-5-9-16(21,10-6-2)12-18-14-8-7-13(11-17-14)15(20)19(3)4/h7-8,11,21H,5-6,9-10,12H2,1-4H3,(H,17,18)
InChIKeyTWTYBWDWACCMBM-UHFFFAOYSA-N
XLogP2.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.53
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-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 103844430
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737
N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
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

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide (CID 111435885) is 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide is CCCC(O)(CCC)CNc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is TWTYBWDWACCMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-9-16(21,10-6-2)12-18-14-8-7-13(11-17-14)15(20)19(3)4/h7-8,11,21H,5-6,9-10,12H2,1-4H3,(H,17,18).
What are the key properties of 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide?
6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-propylpentyl)amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 111435885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).