2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide

C11H17N3O3 — CID 113362577

IUPAC2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCCOCCO
InChIInChI=1S/C11H17N3O3/c12-10(16)9-3-1-4-13-11(9)14-5-2-7-17-8-6-15/h1,3-4,15H,2,5-8H2,(H2,12,16)(H,13,14)
InChIKeyUAXUCXUETYFCHQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.01
Rot. Bonds8

About 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide

2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide (PubChem CID 113362577) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
PubChem CID113362577
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCCOCCO
InChIInChI=1S/C11H17N3O3/c12-10(16)9-3-1-4-13-11(9)14-5-2-7-17-8-6-15/h1,3-4,15H,2,5-8H2,(H2,12,16)(H,13,14)
InChIKeyUAXUCXUETYFCHQ-UHFFFAOYSA-N
XLogP-0.01
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
2-[3-[(2-amino-3-pyridinyl)amino]propoxy]ethanol
CID 106308989
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide
CID 64530064

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide (CID 113362577) is 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide is NC(=O)c1cccnc1NCCCOCCO.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide?
The InChIKey is UAXUCXUETYFCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-10(16)9-3-1-4-13-11(9)14-5-2-7-17-8-6-15/h1,3-4,15H,2,5-8H2,(H2,12,16)(H,13,14).
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide?
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 113362577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).