N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide

C14H22N2O2 — CID 103772608

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide
SMILESCC(C)(CCO)CNC(=O)CCc1cccnc1
InChIInChI=1S/C14H22N2O2/c1-14(2,7-9-17)11-16-13(18)6-5-12-4-3-8-15-10-12/h3-4,8,10,17H,5-7,9,11H2,1-2H3,(H,16,18)
InChIKeyFZSVYNQFJZCYIG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide

N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide (PubChem CID 103772608) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide
PubChem CID103772608
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide
SMILESCC(C)(CCO)CNC(=O)CCc1cccnc1
InChIInChI=1S/C14H22N2O2/c1-14(2,7-9-17)11-16-13(18)6-5-12-4-3-8-15-10-12/h3-4,8,10,17H,5-7,9,11H2,1-2H3,(H,16,18)
InChIKeyFZSVYNQFJZCYIG-UHFFFAOYSA-N
XLogP1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772275
3,3-dimethyl-4-(pyridin-3-ylmethylamino)butan-1-ol
CID 111470754
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
N-[[4-(dimethylamino)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 27888266
5,5-dimethyl-1-pyridin-3-ylhexan-3-one
CID 58286829
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide (CID 103772608) is N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide is CC(C)(CCO)CNC(=O)CCc1cccnc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide?
The InChIKey is FZSVYNQFJZCYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,7-9-17)11-16-13(18)6-5-12-4-3-8-15-10-12/h3-4,8,10,17H,5-7,9,11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide?
N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 103772608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).