5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide

C10H14ClN3O3 — CID 107372068

IUPAC5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O3/c1-6(10(16-2)17-3)14-9(15)7-4-13-8(11)5-12-7/h4-6,10H,1-3H3,(H,14,15)
InChIKeyKMTBRXXDEVSQGV-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.87
Rot. Bonds5

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

5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide (PubChem CID 107372068) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
PubChem CID107372068
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O3/c1-6(10(16-2)17-3)14-9(15)7-4-13-8(11)5-12-7/h4-6,10H,1-3H3,(H,14,15)
InChIKeyKMTBRXXDEVSQGV-UHFFFAOYSA-N
XLogP0.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide
CID 107258530
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
tert-butyl (2R)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoate
CID 107258038
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244718

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide (CID 107372068) is 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide is COC(OC)C(C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is KMTBRXXDEVSQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6(10(16-2)17-3)14-9(15)7-4-13-8(11)5-12-7/h4-6,10H,1-3H3,(H,14,15).
What are the key properties of 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide?
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 259.69 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107372068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).