N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide

C14H20N2O4 — CID 160529682

IUPACN-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide
SMILESCOCCCC(=O)c1ccc(C(=O)NCCCO)cn1
InChIInChI=1S/C14H20N2O4/c1-20-9-2-4-13(18)12-6-5-11(10-16-12)14(19)15-7-3-8-17/h5-6,10,17H,2-4,7-9H2,1H3,(H,15,19)
InChIKeyQVJJHGZYZANAOX-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.80
Rot. Bonds9

About N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide

N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide (PubChem CID 160529682) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide
PubChem CID160529682
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide
SMILESCOCCCC(=O)c1ccc(C(=O)NCCCO)cn1
InChIInChI=1S/C14H20N2O4/c1-20-9-2-4-13(18)12-6-5-11(10-16-12)14(19)15-7-3-8-17/h5-6,10,17H,2-4,7-9H2,1H3,(H,15,19)
InChIKeyQVJJHGZYZANAOX-UHFFFAOYSA-N
XLogP0.80
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.80
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

5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide (CID 160529682) is N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide is COCCCC(=O)c1ccc(C(=O)NCCCO)cn1.
What is the InChIKey of N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide?
The InChIKey is QVJJHGZYZANAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-9-2-4-13(18)12-6-5-11(10-16-12)14(19)15-7-3-8-17/h5-6,10,17H,2-4,7-9H2,1H3,(H,15,19).
What are the key properties of N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide?
N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide is sourced from PubChem (CID 160529682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).