N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide

C12H18N2O2 — CID 79039378

IUPACN-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
SMILESCC(C)(O)CNC(=O)CCc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-12(2,16)9-14-11(15)7-6-10-5-3-4-8-13-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyTYMQZZHCGQZWBR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.90
Rot. Bonds5

About N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide

N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide (PubChem CID 79039378) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
PubChem CID79039378
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
SMILESCC(C)(O)CNC(=O)CCc1ccccn1
InChIInChI=1S/C12H18N2O2/c1-12(2,16)9-14-11(15)7-6-10-5-3-4-8-13-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyTYMQZZHCGQZWBR-UHFFFAOYSA-N
XLogP0.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
CID 75425844
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide
CID 113412006
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
CID 65109951
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111484028
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-pyridin-2-ylpropanamide
CID 79602844
3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182119
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide (CID 79039378) is N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide is CC(C)(O)CNC(=O)CCc1ccccn1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide?
The InChIKey is TYMQZZHCGQZWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,16)9-14-11(15)7-6-10-5-3-4-8-13-10/h3-5,8,16H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide?
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 79039378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).