5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide

C11H16ClN3O2 — CID 122604026

IUPAC5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
SMILESCCCCC(CO)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-2-3-4-8(7-16)15-11(17)9-5-14-10(12)6-13-9/h5-6,8,16H,2-4,7H2,1H3,(H,15,17)
InChIKeyPASGGAOEFBJSRA-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.41
Rot. Bonds6

About 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide

5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide (PubChem CID 122604026) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
PubChem CID122604026
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
SMILESCCCCC(CO)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H16ClN3O2/c1-2-3-4-8(7-16)15-11(17)9-5-14-10(12)6-13-9/h5-6,8,16H,2-4,7H2,1H3,(H,15,17)
InChIKeyPASGGAOEFBJSRA-UHFFFAOYSA-N
XLogP1.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide
CID 107258454
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-hydrazinyl-N-octan-4-ylpyrazine-2-carboxamide
CID 106025870
5-chloro-N-[5-(diethylamino)pentan-2-yl]pyrazine-2-carboxamide
CID 107252414
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
3-[(5-chloropyrazine-2-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 107371683
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
5-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide (CID 122604026) is 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide is CCCCC(CO)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide?
The InChIKey is PASGGAOEFBJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-3-4-8(7-16)15-11(17)9-5-14-10(12)6-13-9/h5-6,8,16H,2-4,7H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide?
5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 122604026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).