2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C20H19N5O3S — CID 70732119

IUPAC2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1cnc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)cn1
InChIInChI=1S/C20H19N5O3S/c1-14-10-23-19(12-22-14)20(26)25-8-6-15-4-5-18(9-16(15)13-25)29(27,28)24-17-3-2-7-21-11-17/h2-5,7,9-12,24H,6,8,13H2,1H3
InChIKeyYIPQNZNOPDMEAS-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.18
Rot. Bonds4

About 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 70732119) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound Name2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID70732119
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1cnc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)cn1
InChIInChI=1S/C20H19N5O3S/c1-14-10-23-19(12-22-14)20(26)25-8-6-15-4-5-18(9-16(15)13-25)29(27,28)24-17-3-2-7-21-11-17/h2-5,7,9-12,24H,6,8,13H2,1H3
InChIKeyYIPQNZNOPDMEAS-UHFFFAOYSA-N
XLogP2.18
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 70732119) is 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide is Cc1cnc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)cn1.
What is the InChIKey of 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is YIPQNZNOPDMEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-14-10-23-19(12-22-14)20(26)25-8-6-15-4-5-18(9-16(15)13-25)29(27,28)24-17-3-2-7-21-11-17/h2-5,7,9-12,24H,6,8,13H2,1H3.
What are the key properties of 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazine-2-carbonyl)-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 70732119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).