5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide

C8H10ClN3O2 — CID 107258262

IUPAC5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H10ClN3O2/c1-5(4-13)12-8(14)6-2-11-7(9)3-10-6/h2-3,5,13H,4H2,1H3,(H,12,14)/t5-/m0/s1
InChIKeyBQZDRBHNRHVZGC-YFKPBYRVSA-N
MW215.64 g/mol
LogP0.24
Rot. Bonds3

About 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide

5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide (PubChem CID 107258262) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
PubChem CID107258262
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H10ClN3O2/c1-5(4-13)12-8(14)6-2-11-7(9)3-10-6/h2-3,5,13H,4H2,1H3,(H,12,14)/t5-/m0/s1
InChIKeyBQZDRBHNRHVZGC-YFKPBYRVSA-N
XLogP0.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
5-chloro-N-[5-(diethylamino)pentan-2-yl]pyrazine-2-carboxamide
CID 107252414
5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
CID 122604026
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
CID 130550792

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide (CID 107258262) is 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide is C[C@@H](CO)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is BQZDRBHNRHVZGC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(4-13)12-8(14)6-2-11-7(9)3-10-6/h2-3,5,13H,4H2,1H3,(H,12,14)/t5-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide?
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 215.64 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 107258262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).