N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide

C11H15ClN2O3 — CID 106243919

IUPACN-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1ccncc1O
InChIInChI=1S/C11H15ClN2O3/c1-17-7-8(12)2-5-14-11(16)9-3-4-13-6-10(9)15/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyJXCMDQPXDMIDKJ-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.16
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide

N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 106243919) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
PubChem CID106243919
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC NameN-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
SMILESCOCC(Cl)CCNC(=O)c1ccncc1O
InChIInChI=1S/C11H15ClN2O3/c1-17-7-8(12)2-5-14-11(16)9-3-4-13-6-10(9)15/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16)
InChIKeyJXCMDQPXDMIDKJ-UHFFFAOYSA-N
XLogP1.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.16
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-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
N-(3-chloro-4-methoxybutyl)-2-iodobenzamide
CID 106243499
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid
CID 81438999
N-(3-chloro-4-methoxybutyl)-6-methylpyridine-3-carboxamide
CID 106244040

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide (CID 106243919) is N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide is COCC(Cl)CCNC(=O)c1ccncc1O.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is JXCMDQPXDMIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-17-7-8(12)2-5-14-11(16)9-3-4-13-6-10(9)15/h3-4,6,8,15H,2,5,7H2,1H3,(H,14,16).
What are the key properties of N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide?
N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 258.70 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 106243919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).