2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid

C38H43N5O8S — CID 175415572

About 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid

2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid (PubChem CID 175415572) has the molecular formula C38H43N5O8S and a molecular weight of 729.86 g/mol. Its IUPAC name is 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid.

Molecular Properties

• Compound Name: 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
• PubChem CID: 175415572
• Molecular Formula: C38H43N5O8S
• Molecular Weight: 729.86 g/mol
• Exact Mass: 729.28
• IUPAC Name: 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid
• SMILES: COc1ccc(C2(c3c(C(N)=O)c(=O)c(-c4ccc(C)cc4)cn3CC3CCOCC3)C=NC(c3cccnc3N)=CC2)cc1OC.CS(=O)(=O)O
• InChI: InChI=1S/C37H39N5O5.CH4O3S/c1-23-6-8-25(9-7-23)28-21-42(20-24-13-17-47-18-14-24)34(32(33(28)43)36(39)44)37(26-10-11-30(45-2)31(19-26)46-3)15-12-29(41-22-37)27-5-4-16-40-35(27)38;1-5(2,3)4/h4-12,16,19,21-22,24H,13-15,17-18,20H2,1-3H3,(H2,38,40)(H2,39,44);1H3,(H,2,3,4)
• InChIKey: DHEZQOFUKHELIA-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 198.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.86
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

The IUPAC name of 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid (CID 175415572) is 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid.

What is the SMILES notation for 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

The canonical SMILES for 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid is COc1ccc(C2(c3c(C(N)=O)c(=O)c(-c4ccc(C)cc4)cn3CC3CCOCC3)C=NC(c3cccnc3N)=CC2)cc1OC.CS(=O)(=O)O.

What is the InChIKey of 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

The InChIKey is DHEZQOFUKHELIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O5.CH4O3S/c1-23-6-8-25(9-7-23)28-21-42(20-24-13-17-47-18-14-24)34(32(33(28)43)36(39)44)37(26-10-11-30(45-2)31(19-26)46-3)15-12-29(41-22-37)27-5-4-16-40-35(27)38;1-5(2,3)4/h4-12,16,19,21-22,24H,13-15,17-18,20H2,1-3H3,(H2,38,40)(H2,39,44);1H3,(H,2,3,4).

What are the key properties of 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid?

2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid has a molecular weight of 729.86 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-amino-3-pyridinyl)-3-(3,4-dimethoxyphenyl)-4H-pyridin-3-yl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide;methanesulfonic acid is sourced from PubChem (CID 175415572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).