2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide

C13H21N3O2 — CID 119060315

IUPAC2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
SMILESCC(C(=O)NCCCOc1cccnc1)N(C)C
InChIInChI=1S/C13H21N3O2/c1-11(16(2)3)13(17)15-8-5-9-18-12-6-4-7-14-10-12/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,15,17)
InChIKeyGCWCATICONWUEC-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.92
Rot. Bonds7

About 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide

2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide (PubChem CID 119060315) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
PubChem CID119060315
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide
SMILESCC(C(=O)NCCCOc1cccnc1)N(C)C
InChIInChI=1S/C13H21N3O2/c1-11(16(2)3)13(17)15-8-5-9-18-12-6-4-7-14-10-12/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,15,17)
InChIKeyGCWCATICONWUEC-UHFFFAOYSA-N
XLogP0.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
CID 119067728
N,N-dimethyl-4-pyridin-3-yloxybutanamide
CID 110486958
3-(3-chloropropoxy)pyridine;N-propan-2-yl-3-pyridin-3-yloxypropan-1-amine
CID 18433344
3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
(4S)-4-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)azepane-1-carboxamide
CID 126448105
(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837106
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112
1-methyl-5-oxo-N-(3-pyridin-3-yloxypropyl)-4H-1,2,4-triazole-3-carboxamide
CID 156584225
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
(2R)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429271
(2S)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429268
3-[methyl(3-pyridin-3-yloxypropanoyl)amino]propanoic acid
CID 110837113

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide?
The IUPAC name of 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide (CID 119060315) is 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide is CC(C(=O)NCCCOc1cccnc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide?
The InChIKey is GCWCATICONWUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11(16(2)3)13(17)15-8-5-9-18-12-6-4-7-14-10-12/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide?
2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-pyridin-3-yloxypropyl)propanamide is sourced from PubChem (CID 119060315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).