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

C16H26N2O2 — CID 109381247

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCc1ccncc1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(20)16(3,4)11-18-14(19)6-5-13-7-9-17-10-8-13/h7-10,12,15,20H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyRKNWBMHJPCZAEE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.17
Rot. Bonds7

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

N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide (PubChem CID 109381247) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide
PubChem CID109381247
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCc1ccncc1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(20)16(3,4)11-18-14(19)6-5-13-7-9-17-10-8-13/h7-10,12,15,20H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyRKNWBMHJPCZAEE-UHFFFAOYSA-N
XLogP2.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 104593486
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
CID 109380543
3-hydroxy-2-(3-pyridin-4-ylpropanoylamino)butanoic acid
CID 113269883
N-(2-methyl-2-pyridin-4-ylpropyl)-3-(4-phenylphenyl)propanamide
CID 166227449
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 109381038
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119506160
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
3-(4-ethylphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
CID 71911698

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide (CID 109381247) is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide is CC(C)C(O)C(C)(C)CNC(=O)CCc1ccncc1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide?
The InChIKey is RKNWBMHJPCZAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)15(20)16(3,4)11-18-14(19)6-5-13-7-9-17-10-8-13/h7-10,12,15,20H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 109381247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).