5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane

C51H59Cl6N13O12S2 — CID 157356155

IUPAC5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane
SMILESCOCCCN.COCCCNc1cnc(C(=O)Nc2cccc(OC)c2)cn1.COc1cccc(N)c1.COc1cccc(NC(=O)c2cnc(Cl)cn2)c1.O=C(Cl)C(=O)Cl.O=C(Cl)c1cnc(Cl)cn1.O=C(O)c1cnc(Cl)cn1.S.S
InChIInChI=1S/C16H20N4O3.C12H10ClN3O2.C7H9NO.C5H2Cl2N2O.C5H3ClN2O2.C4H11NO.C2Cl2O2.2H2S/c1-22-8-4-7-17-15-11-18-14(10-19-15)16(21)20-12-5-3-6-13(9-12)23-2;1-18-9-4-2-3-8(5-9)16-12(17)10-6-15-11(13)7-14-10;1-9-7-4-2-3-6(8)5-7;6-4-2-8-3(1-9-4)5(7)10;6-4-2-7-3(1-8-4)5(9)10;1-6-4-2-3-5;3-1(5)2(4)6;;/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,17,19)(H,20,21);2-7H,1H3,(H,16,17);2-5H,8H2,1H3;1-2H;1-2H,(H,9,10);2-5H2,1H3;;2*1H2
InChIKeyBICJPPCLCFHAGK-UHFFFAOYSA-N
MW1322.96 g/mol
LogP8.92
Rot. Bonds18

About 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane

5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane (PubChem CID 157356155) has the molecular formula C51H59Cl6N13O12S2 and a molecular weight of 1322.96 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane.

Molecular Properties

Compound Name5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane
PubChem CID157356155
Molecular FormulaC51H59Cl6N13O12S2
Molecular Weight1322.96 g/mol
Exact Mass1319.20
IUPAC Name5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane
SMILESCOCCCN.COCCCNc1cnc(C(=O)Nc2cccc(OC)c2)cn1.COc1cccc(N)c1.COc1cccc(NC(=O)c2cnc(Cl)cn2)c1.O=C(Cl)C(=O)Cl.O=C(Cl)c1cnc(Cl)cn1.O=C(O)c1cnc(Cl)cn1.S.S
InChIInChI=1S/C16H20N4O3.C12H10ClN3O2.C7H9NO.C5H2Cl2N2O.C5H3ClN2O2.C4H11NO.C2Cl2O2.2H2S/c1-22-8-4-7-17-15-11-18-14(10-19-15)16(21)20-12-5-3-6-13(9-12)23-2;1-18-9-4-2-3-8(5-9)16-12(17)10-6-15-11(13)7-14-10;1-9-7-4-2-3-6(8)5-7;6-4-2-8-3(1-9-4)5(7)10;6-4-2-7-3(1-8-4)5(9)10;1-6-4-2-3-5;3-1(5)2(4)6;;/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,17,19)(H,20,21);2-7H,1H3,(H,16,17);2-5H,8H2,1H3;1-2H;1-2H,(H,9,10);2-5H2,1H3;;2*1H2
InChIKeyBICJPPCLCFHAGK-UHFFFAOYSA-N
XLogP8.92
TPSA360.05 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001322.96
LogP ≤ 58.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
CID 158447983
3-amino-6-anilino-N-(2-methoxyphenyl)pyrazine-2-carboxamide;3-amino-6-anilinopyrazine-2-carboxylic acid;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate
CID 160078940
6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-6-(pentylamino)pyridine-3-carboxamide;3-methoxypropan-1-amine;sulfane;thionyl dichloride
CID 160144023

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane?
The IUPAC name of 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane (CID 157356155) is 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane.
What is the SMILES notation for 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane?
The canonical SMILES for 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane is COCCCN.COCCCNc1cnc(C(=O)Nc2cccc(OC)c2)cn1.COc1cccc(N)c1.COc1cccc(NC(=O)c2cnc(Cl)cn2)c1.O=C(Cl)C(=O)Cl.O=C(Cl)c1cnc(Cl)cn1.O=C(O)c1cnc(Cl)cn1.S.S.
What is the InChIKey of 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane?
The InChIKey is BICJPPCLCFHAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.C12H10ClN3O2.C7H9NO.C5H2Cl2N2O.C5H3ClN2O2.C4H11NO.C2Cl2O2.2H2S/c1-22-8-4-7-17-15-11-18-14(10-19-15)16(21)20-12-5-3-6-13(9-12)23-2;1-18-9-4-2-3-8(5-9)16-12(17)10-6-15-11(13)7-14-10;1-9-7-4-2-3-6(8)5-7;6-4-2-8-3(1-9-4)5(7)10;6-4-2-7-3(1-8-4)5(9)10;1-6-4-2-3-5;3-1(5)2(4)6;;/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,17,19)(H,20,21);2-7H,1H3,(H,16,17);2-5H,8H2,1H3;1-2H;1-2H,(H,9,10);2-5H2,1H3;;2*1H2.
What are the key properties of 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane?
5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane has a molecular weight of 1322.96 g/mol, XLogP of 8.92, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxyphenyl)pyrazine-2-carboxamide;5-chloropyrazine-2-carbonyl chloride;5-chloropyrazine-2-carboxylic acid;3-methoxyaniline;N-(3-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide;3-methoxypropan-1-amine;oxalyl dichloride;sulfane is sourced from PubChem (CID 157356155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).