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

C12H18N2O4 — CID 104696914

IUPAC3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
SMILESCOCCOCCCNC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O4/c1-17-8-9-18-7-3-6-14-12(16)11-10(15)4-2-5-13-11/h2,4-5,15H,3,6-9H2,1H3,(H,14,16)
InChIKeyLJQCMSKPTNLJQT-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.57
Rot. Bonds8

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

3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide (PubChem CID 104696914) 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-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
PubChem CID104696914
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
SMILESCOCCOCCCNC(=O)c1ncccc1O
InChIInChI=1S/C12H18N2O4/c1-17-8-9-18-7-3-6-14-12(16)11-10(15)4-2-5-13-11/h2,4-5,15H,3,6-9H2,1H3,(H,14,16)
InChIKeyLJQCMSKPTNLJQT-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

2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
CID 62734876
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
3-hydroxy-N-(3-piperidin-4-yloxypropyl)pyridine-2-carboxamide
CID 63870452
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
N-(3-amino-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 60924836
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxypyridine-2-carboxamide
CID 55153793
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide (CID 104696914) is 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide is COCCOCCCNC(=O)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide?
The InChIKey is LJQCMSKPTNLJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-8-9-18-7-3-6-14-12(16)11-10(15)4-2-5-13-11/h2,4-5,15H,3,6-9H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide?
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 104696914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).