3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide

C11H17N3O3 — CID 113430399

IUPAC3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide
SMILESCC(O)CNCCNC(=O)c1ncccc1O
InChIInChI=1S/C11H17N3O3/c1-8(15)7-12-5-6-14-11(17)10-9(16)3-2-4-13-10/h2-4,8,12,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyTVWDDWREQZSSHU-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.51
Rot. Bonds6

About 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide

3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide (PubChem CID 113430399) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide
PubChem CID113430399
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide
SMILESCC(O)CNCCNC(=O)c1ncccc1O
InChIInChI=1S/C11H17N3O3/c1-8(15)7-12-5-6-14-11(17)10-9(16)3-2-4-13-10/h2-4,8,12,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyTVWDDWREQZSSHU-UHFFFAOYSA-N
XLogP-0.51
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-hydroxy-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 115302635
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 107833697
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
N-(3-amino-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 60924836
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide (CID 113430399) is 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide is CC(O)CNCCNC(=O)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is TVWDDWREQZSSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(15)7-12-5-6-14-11(17)10-9(16)3-2-4-13-10/h2-4,8,12,15-16H,5-7H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide?
3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(2-hydroxypropylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 113430399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).