2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide

C18H29N3O2 — CID 75381073

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H29N3O2/c1-13-7-8-14(2)21(13)15(3)18(23)20-11-16(12-22)10-17-6-4-5-9-19-17/h4-6,9,13-16,22H,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyGQPCXYZYQOGURJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.61
Rot. Bonds7

About 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide

2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide (PubChem CID 75381073) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
PubChem CID75381073
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H29N3O2/c1-13-7-8-14(2)21(13)15(3)18(23)20-11-16(12-22)10-17-6-4-5-9-19-17/h4-6,9,13-16,22H,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyGQPCXYZYQOGURJ-UHFFFAOYSA-N
XLogP1.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111784685
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784791
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
CID 110027805
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478271
(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 97014692
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide (CID 75381073) is 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide is CC1CCC(C)N1C(C)C(=O)NCC(CO)Cc1ccccn1.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
The InChIKey is GQPCXYZYQOGURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13-7-8-14(2)21(13)15(3)18(23)20-11-16(12-22)10-17-6-4-5-9-19-17/h4-6,9,13-16,22H,7-8,10-12H2,1-3H3,(H,20,23).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide?
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.61, 7 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-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide is sourced from PubChem (CID 75381073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).