N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide

C12H18N2O3 — CID 107318362

IUPACN-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCCCO
InChIInChI=1S/C12H18N2O3/c1-17-12-10(6-5-8-14-12)11(16)13-7-3-2-4-9-15/h5-6,8,15H,2-4,7,9H2,1H3,(H,13,16)
InChIKeyWOOOYIRNGVYMAD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds7

About N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide

N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide (PubChem CID 107318362) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
PubChem CID107318362
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCCCCO
InChIInChI=1S/C12H18N2O3/c1-17-12-10(6-5-8-14-12)11(16)13-7-3-2-4-9-15/h5-6,8,15H,2-4,7,9H2,1H3,(H,13,16)
InChIKeyWOOOYIRNGVYMAD-UHFFFAOYSA-N
XLogP0.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-(4-cyanobutyl)-2-methoxypyridine-3-carboxamide
CID 63284776
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
CID 52807858
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide (CID 107318362) is N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is WOOOYIRNGVYMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-12-10(6-5-8-14-12)11(16)13-7-3-2-4-9-15/h5-6,8,15H,2-4,7,9H2,1H3,(H,13,16).
What are the key properties of N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide?
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 107318362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).