N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide

C14H22N2O3 — CID 21088900

IUPACN-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCCCCCCNC(=O)c1nccc(OC)c1O
InChIInChI=1S/C14H22N2O3/c1-3-4-5-6-7-9-16-14(18)12-13(17)11(19-2)8-10-15-12/h8,10,17H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyTZUWZMODCONVEK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.50
Rot. Bonds8

About N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide

N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 21088900) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID21088900
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCCCCCCNC(=O)c1nccc(OC)c1O
InChIInChI=1S/C14H22N2O3/c1-3-4-5-6-7-9-16-14(18)12-13(17)11(19-2)8-10-15-12/h8,10,17H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyTZUWZMODCONVEK-UHFFFAOYSA-N
XLogP2.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.50
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

3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 146481386
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N,N-diethyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 174184985
N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
2-methoxy-N-tridecylbenzamide
CID 139819873
3-N-dodecylpyrazine-2,3-dicarboxamide
CID 66771838
3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 21088900) is N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide is CCCCCCCNC(=O)c1nccc(OC)c1O.
What is the InChIKey of N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is TZUWZMODCONVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-4-5-6-7-9-16-14(18)12-13(17)11(19-2)8-10-15-12/h8,10,17H,3-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 21088900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).