N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide

C13H21N3O2 — CID 103900021

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(C)(C)CCCO)cn1
InChIInChI=1S/C13H21N3O2/c1-10-7-15-11(8-14-10)12(18)16-9-13(2,3)5-4-6-17/h7-8,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyRZFNIYHRTHGBKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide (PubChem CID 103900021) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
PubChem CID103900021
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC(C)(C)CCCO)cn1
InChIInChI=1S/C13H21N3O2/c1-10-7-15-11(8-14-10)12(18)16-9-13(2,3)5-4-6-17/h7-8,17H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyRZFNIYHRTHGBKI-UHFFFAOYSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-5-methylpyrazine-2-carboxamide
CID 103772304
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide
CID 114126503
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
methyl 5-[(5-hydroxy-2,2-dimethylpentyl)amino]pyrazine-2-carboxylate
CID 106148777
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 106139343
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 103899308
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
6-hydrazinyl-N-(6-hydroxy-2,2-dimethylhexyl)pyridine-3-carboxamide
CID 91459914
5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 103899838
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114150196

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide (CID 103900021) is N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCC(C)(C)CCCO)cn1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is RZFNIYHRTHGBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-7-15-11(8-14-10)12(18)16-9-13(2,3)5-4-6-17/h7-8,17H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103900021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).