2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide

C16H25N3O2 — CID 75431273

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(O)c1ccncc1
InChIInChI=1S/C16H25N3O2/c1-11-4-5-12(2)19(11)13(3)16(21)18-10-15(20)14-6-8-17-9-7-14/h6-9,11-13,15,20H,4-5,10H2,1-3H3,(H,18,21)
InChIKeyLVSAXZWTPIXJDJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.49
Rot. Bonds5

About 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide

2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide (PubChem CID 75431273) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
PubChem CID75431273
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(O)c1ccncc1
InChIInChI=1S/C16H25N3O2/c1-11-4-5-12(2)19(11)13(3)16(21)18-10-15(20)14-6-8-17-9-7-14/h6-9,11-13,15,20H,4-5,10H2,1-3H3,(H,18,21)
InChIKeyLVSAXZWTPIXJDJ-UHFFFAOYSA-N
XLogP1.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide (CID 75431273) is 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide is CC1CCC(C)N1C(C)C(=O)NCC(O)c1ccncc1.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide?
The InChIKey is LVSAXZWTPIXJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-4-5-12(2)19(11)13(3)16(21)18-10-15(20)14-6-8-17-9-7-14/h6-9,11-13,15,20H,4-5,10H2,1-3H3,(H,18,21).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide?
2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 75431273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).