N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide

C12H15N3O2 — CID 81445991

IUPACN-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1ccncc1O
InChIInChI=1S/C12H15N3O2/c1-3-12(4-2,8-13)15-11(17)9-5-6-14-7-10(9)16/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyILZGYJLFMZPTBE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds4

About N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide

N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide (PubChem CID 81445991) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
PubChem CID81445991
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1ccncc1O
InChIInChI=1S/C12H15N3O2/c1-3-12(4-2,8-13)15-11(17)9-5-6-14-7-10(9)16/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyILZGYJLFMZPTBE-UHFFFAOYSA-N
XLogP1.60
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61120396
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55136511
N-(3-cyanopentan-3-yl)quinoline-8-carboxamide
CID 62849554
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077
N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625310
N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810446
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
CID 55139521
2-chloro-N-(3-cyanopentan-3-yl)-3-fluorobenzamide
CID 81454599
3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 105070428

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide (CID 81445991) is N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide is CCC(C#N)(CC)NC(=O)c1ccncc1O.
What is the InChIKey of N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is ILZGYJLFMZPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-12(4-2,8-13)15-11(17)9-5-6-14-7-10(9)16/h5-7,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide?
N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81445991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).