N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide

C12H19N3O2 — CID 103772304

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(C)(C)CCO)cn1
InChIInChI=1S/C12H19N3O2/c1-9-6-14-10(7-13-9)11(17)15-8-12(2,3)4-5-16/h6-7,16H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyOOONUZPPUWEMCX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.92
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide (PubChem CID 103772304) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
PubChem CID103772304
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(C)(C)CCO)cn1
InChIInChI=1S/C12H19N3O2/c1-9-6-14-10(7-13-9)11(17)15-8-12(2,3)4-5-16/h6-7,16H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyOOONUZPPUWEMCX-UHFFFAOYSA-N
XLogP0.92
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide
CID 114126503
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
CID 106140440
N-(2-ethylbutyl)-5-methylpyrazine-2-carboxamide
CID 115612532
N-(2,2-dimethylbutyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107377291
2-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 61263724
N-[(3-hydroxycyclobutyl)methyl]-5-methylpyrazine-2-carboxamide
CID 66005550
N-(4-hydroxy-2,2-dimethylbutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103772900
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide (CID 103772304) is N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCC(C)(C)CCO)cn1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is OOONUZPPUWEMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-14-10(7-13-9)11(17)15-8-12(2,3)4-5-16/h6-7,16H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103772304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).