N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide

C30H34N5O5S+ — CID 155922255

About N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide (PubChem CID 155922255) has the molecular formula C30H34N5O5S+ and a molecular weight of 576.70 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide
• PubChem CID: 155922255
• Molecular Formula: C30H34N5O5S+
• Molecular Weight: 576.70 g/mol
• Exact Mass: 576.23
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide
• SMILES: C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCC4C(=O)N=C(C)C=C4OC)cc([N+]4=CC(=C)N(C)C=C4)cc32)CC1
• InChI: InChI=1S/C30H33N5O5S/c1-7-8-30(9-10-30)41(38,39)35-17-19(2)27-23(14-22(15-25(27)35)34-12-11-33(5)21(4)18-34)28(36)31-16-24-26(40-6)13-20(3)32-29(24)37/h7,11-15,17-18,24H,1,4,8-10,16H2,2-3,5-6H3/p+1
• InChIKey: ZNVLDEQJLSJJRM-UHFFFAOYSA-O
• XLogP: 3.76
• TPSA: 113.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.70
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide?

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide (CID 155922255) is N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide is C=CCC1(S(=O)(=O)n2cc(C)c3c(C(=O)NCC4C(=O)N=C(C)C=C4OC)cc([N+]4=CC(=C)N(C)C=C4)cc32)CC1.

What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide?

The InChIKey is ZNVLDEQJLSJJRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H33N5O5S/c1-7-8-30(9-10-30)41(38,39)35-17-19(2)27-23(14-22(15-25(27)35)34-12-11-33(5)21(4)18-34)28(36)31-16-24-26(40-6)13-20(3)32-29(24)37/h7,11-15,17-18,24H,1,4,8-10,16H2,2-3,5-6H3/p+1.

What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide has a molecular weight of 576.70 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methyl-6-(4-methyl-3-methylidenepyrazin-1-ium-1-yl)-1-(1-prop-2-enylcyclopropyl)sulfonylindole-4-carboxamide is sourced from PubChem (CID 155922255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).