N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide

C10H13ClN2O3 — CID 114298783

IUPACN-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccncc1O
InChIInChI=1S/C10H13ClN2O3/c1-16-6-7(11)4-13-10(15)8-2-3-12-5-9(8)14/h2-3,5,7,14H,4,6H2,1H3,(H,13,15)
InChIKeyBJNIUMLAUOREDV-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.77
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide

N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 114298783) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
PubChem CID114298783
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC NameN-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccncc1O
InChIInChI=1S/C10H13ClN2O3/c1-16-6-7(11)4-13-10(15)8-2-3-12-5-9(8)14/h2-3,5,7,14H,4,6H2,1H3,(H,13,15)
InChIKeyBJNIUMLAUOREDV-UHFFFAOYSA-N
XLogP0.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106243919
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
CID 114316791
N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
CID 106286387
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-hydroxypyridine-4-carboxamide
CID 97320910
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
3-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-4-carboxamide
CID 81443763

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide (CID 114298783) is N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide is COCC(Cl)CNC(=O)c1ccncc1O.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is BJNIUMLAUOREDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-16-6-7(11)4-13-10(15)8-2-3-12-5-9(8)14/h2-3,5,7,14H,4,6H2,1H3,(H,13,15).
What are the key properties of N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide?
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 114298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).