N-hexan-3-yl-3-hydroxypyridine-4-carboxamide

C12H18N2O2 — CID 81442686

IUPACN-hexan-3-yl-3-hydroxypyridine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1ccncc1O
InChIInChI=1S/C12H18N2O2/c1-3-5-9(4-2)14-12(16)10-6-7-13-8-11(10)15/h6-9,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyJLBDAGNNVAOSQD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds5

About N-hexan-3-yl-3-hydroxypyridine-4-carboxamide

N-hexan-3-yl-3-hydroxypyridine-4-carboxamide (PubChem CID 81442686) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-hexan-3-yl-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-3-hydroxypyridine-4-carboxamide
PubChem CID81442686
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-hexan-3-yl-3-hydroxypyridine-4-carboxamide
SMILESCCCC(CC)NC(=O)c1ccncc1O
InChIInChI=1S/C12H18N2O2/c1-3-5-9(4-2)14-12(16)10-6-7-13-8-11(10)15/h6-9,15H,3-5H2,1-2H3,(H,14,16)
InChIKeyJLBDAGNNVAOSQD-UHFFFAOYSA-N
XLogP2.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-3-yl-3-hydrazinylpyridine-4-carboxamide
CID 105071655
N-hexan-3-yl-4-hydrazinylpyridine-3-carboxamide
CID 81256728
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 80707403
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-(1-chloro-4-methylpentan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 114300849
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 105064609
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
4-hydrazinyl-N-octan-4-ylpyridine-3-carboxamide
CID 114138357

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-hexan-3-yl-3-hydroxypyridine-4-carboxamide (CID 81442686) is N-hexan-3-yl-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-hexan-3-yl-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-hexan-3-yl-3-hydroxypyridine-4-carboxamide is CCCC(CC)NC(=O)c1ccncc1O.
What is the InChIKey of N-hexan-3-yl-3-hydroxypyridine-4-carboxamide?
The InChIKey is JLBDAGNNVAOSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-5-9(4-2)14-12(16)10-6-7-13-8-11(10)15/h6-9,15H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-hexan-3-yl-3-hydroxypyridine-4-carboxamide?
N-hexan-3-yl-3-hydroxypyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81442686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).