N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide

C12H19N3O2 — CID 113430432

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
SMILESCC(O)CNCCNC(=O)Cc1cccnc1
InChIInChI=1S/C12H19N3O2/c1-10(16)8-14-5-6-15-12(17)7-11-3-2-4-13-9-11/h2-4,9-10,14,16H,5-8H2,1H3,(H,15,17)
InChIKeyHFKOIYZUPCXEGI-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.29
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide

N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide (PubChem CID 113430432) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
PubChem CID113430432
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
SMILESCC(O)CNCCNC(=O)Cc1cccnc1
InChIInChI=1S/C12H19N3O2/c1-10(16)8-14-5-6-15-12(17)7-11-3-2-4-13-9-11/h2-4,9-10,14,16H,5-8H2,1H3,(H,15,17)
InChIKeyHFKOIYZUPCXEGI-UHFFFAOYSA-N
XLogP-0.29
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-methyl-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 62674452
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 104593486
N-(2-benzyl-3-methylbutyl)-2-pyridin-3-ylacetamide
CID 119045205
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
CID 67328330

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide (CID 113430432) is N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide is CC(O)CNCCNC(=O)Cc1cccnc1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is HFKOIYZUPCXEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(16)8-14-5-6-15-12(17)7-11-3-2-4-13-9-11/h2-4,9-10,14,16H,5-8H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 113430432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).