6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide

C10H14ClN3O3 — CID 106551616

IUPAC6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O3/c1-17-6-7(15)2-3-13-10(16)8-4-12-5-9(11)14-8/h4-5,7,15H,2-3,6H2,1H3,(H,13,16)
InChIKeyDPRFDCQXGPUWDK-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.26
Rot. Bonds6

About 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide

6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide (PubChem CID 106551616) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
PubChem CID106551616
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C10H14ClN3O3/c1-17-6-7(15)2-3-13-10(16)8-4-12-5-9(11)14-8/h4-5,7,15H,2-3,6H2,1H3,(H,13,16)
InChIKeyDPRFDCQXGPUWDK-UHFFFAOYSA-N
XLogP0.26
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
CID 103877657
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 106551480
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
2-tert-butyl-6-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 106242999
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
N-(3-hydroxy-4-methoxybutyl)-1,5-dimethylpyrazole-3-carboxamide
CID 113343557
5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
CID 103877510

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide (CID 106551616) is 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide is COCC(O)CCNC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide?
The InChIKey is DPRFDCQXGPUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-17-6-7(15)2-3-13-10(16)8-4-12-5-9(11)14-8/h4-5,7,15H,2-3,6H2,1H3,(H,13,16).
What are the key properties of 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide?
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide has a molecular weight of 259.69 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).