3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide

C12H18N2O4 — CID 104538186

IUPAC3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
SMILESCOCCOCCCNC(=O)c1ccncc1O
InChIInChI=1S/C12H18N2O4/c1-17-7-8-18-6-2-4-14-12(16)10-3-5-13-9-11(10)15/h3,5,9,15H,2,4,6-8H2,1H3,(H,14,16)
InChIKeyJFZUFGBVZKRXFJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.57
Rot. Bonds8

About 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide

3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide (PubChem CID 104538186) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
PubChem CID104538186
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
SMILESCOCCOCCCNC(=O)c1ccncc1O
InChIInChI=1S/C12H18N2O4/c1-17-7-8-18-6-2-4-14-12(16)10-3-5-13-9-11(10)15/h3,5,9,15H,2,4,6-8H2,1H3,(H,14,16)
InChIKeyJFZUFGBVZKRXFJ-UHFFFAOYSA-N
XLogP0.57
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 103741684
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106243919
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide (CID 104538186) is 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide is COCCOCCCNC(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
The InChIKey is JFZUFGBVZKRXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-7-8-18-6-2-4-14-12(16)10-3-5-13-9-11(10)15/h3,5,9,15H,2,4,6-8H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide?
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 104538186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).