N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide

C30H41N5O3S — CID 144791528

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide (PubChem CID 144791528) has the molecular formula C30H41N5O3S and a molecular weight of 551.76 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide
• PubChem CID: 144791528
• Molecular Formula: C30H41N5O3S
• Molecular Weight: 551.76 g/mol
• Exact Mass: 551.29
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2c(C)n(CC3CCN(S(=O)C4CCN(C)CC4)CC3)c3ccccc23)c(=O)[nH]1
• InChI: InChI=1S/C30H41N5O3S/c1-20-17-21(2)32-29(36)26(20)18-31-30(37)28-22(3)35(27-8-6-5-7-25(27)28)19-23-9-15-34(16-10-23)39(38)24-11-13-33(4)14-12-24/h5-8,17,23-24H,9-16,18-19H2,1-4H3,(H,31,37)(H,32,36)
• InChIKey: VEBJJJKIAQVZTH-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 90.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.76
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide (CID 144791528) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C)n(CC3CCN(S(=O)C4CCN(C)CC4)CC3)c3ccccc23)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide?

The InChIKey is VEBJJJKIAQVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O3S/c1-20-17-21(2)32-29(36)26(20)18-31-30(37)28-22(3)35(27-8-6-5-7-25(27)28)19-23-9-15-34(16-10-23)39(38)24-11-13-33(4)14-12-24/h5-8,17,23-24H,9-16,18-19H2,1-4H3,(H,31,37)(H,32,36).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide has a molecular weight of 551.76 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[[1-(1-methylpiperidin-4-yl)sulfinylpiperidin-4-yl]methyl]indole-3-carboxamide is sourced from PubChem (CID 144791528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).