4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen

C19H27N7O2S — CID 160853998

IUPAC4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(C4=CCN(S(=O)(=O)N(C)C)CC4)cnc3N)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C19H23N7O2S.2H2/c1-12-4-5-14-15(10-12)24-19(23-14)17-18(20)21-11-16(22-17)13-6-8-26(9-7-13)29(27,28)25(2)3;;/h4-6,10-11H,7-9H2,1-3H3,(H2,20,21)(H,23,24);2*1H
InChIKeySJPZDCAWYAWOMK-UHFFFAOYSA-N
MW417.54 g/mol
LogP2.30
Rot. Bonds4

About 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen

4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen (PubChem CID 160853998) has the molecular formula C19H27N7O2S and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen
PubChem CID160853998
Molecular FormulaC19H27N7O2S
Molecular Weight417.54 g/mol
Exact Mass417.19
IUPAC Name4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen
SMILESCc1ccc2nc(-c3nc(C4=CCN(S(=O)(=O)N(C)C)CC4)cnc3N)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C19H23N7O2S.2H2/c1-12-4-5-14-15(10-12)24-19(23-14)17-18(20)21-11-16(22-17)13-6-8-26(9-7-13)29(27,28)25(2)3;;/h4-6,10-11H,7-9H2,1-3H3,(H2,20,21)(H,23,24);2*1H
InChIKeySJPZDCAWYAWOMK-UHFFFAOYSA-N
XLogP2.30
TPSA121.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen?
The IUPAC name of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen (CID 160853998) is 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen?
The canonical SMILES for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen is Cc1ccc2nc(-c3nc(C4=CCN(S(=O)(=O)N(C)C)CC4)cnc3N)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen?
The InChIKey is SJPZDCAWYAWOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S.2H2/c1-12-4-5-14-15(10-12)24-19(23-14)17-18(20)21-11-16(22-17)13-6-8-26(9-7-13)29(27,28)25(2)3;;/h4-6,10-11H,7-9H2,1-3H3,(H2,20,21)(H,23,24);2*1H.
What are the key properties of 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen?
4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen has a molecular weight of 417.54 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide;molecular hydrogen is sourced from PubChem (CID 160853998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).