3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid

C58H67ClN10O7 — CID 158394041

About 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid

3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid (PubChem CID 158394041) has the molecular formula C58H67ClN10O7 and a molecular weight of 1051.69 g/mol. Its IUPAC name is 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
• PubChem CID: 158394041
• Molecular Formula: C58H67ClN10O7
• Molecular Weight: 1051.69 g/mol
• Exact Mass: 1050.49
• IUPAC Name: 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
• SMILES: Cc1c(C(=O)O)cc2cc(-c3cccnc3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cccnc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1
• InChI: InChI=1S/C29H33N5O3.C21H23N3O3.C8H11ClN2O/c1-18-12-19(2)32-29(36)26(18)16-31-28(35)25-14-24-13-23(22-6-5-7-30-15-22)17-34(24)27(20(25)3)21(4)33-8-10-37-11-9-33;1-14-19(21(25)26)11-18-10-17(16-4-3-5-22-12-16)13-24(18)20(14)15(2)23-6-8-27-9-7-23;1-5-3-6(2)11-8(12)7(5)4-10-9/h5-7,12-15,17,21H,8-11,16H2,1-4H3,(H,31,35)(H,32,36);3-5,10-13,15H,6-9H2,1-2H3,(H,25,26);3,10H,4H2,1-2H3,(H,11,12)
• InChIKey: GXIAUNDNBWGHTH-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 203.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.69
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?

The IUPAC name of 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid (CID 158394041) is 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid.

What is the SMILES notation for 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?

The canonical SMILES for 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3cccnc3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cccnc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.

What is the InChIKey of 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?

The InChIKey is GXIAUNDNBWGHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.C21H23N3O3.C8H11ClN2O/c1-18-12-19(2)32-29(36)26(18)16-31-28(35)25-14-24-13-23(22-6-5-7-30-15-22)17-34(24)27(20(25)3)21(4)33-8-10-37-11-9-33;1-14-19(21(25)26)11-18-10-17(16-4-3-5-22-12-16)13-24(18)20(14)15(2)23-6-8-27-9-7-23;1-5-3-6(2)11-8(12)7(5)4-10-9/h5-7,12-15,17,21H,8-11,16H2,1-4H3,(H,31,35)(H,32,36);3-5,10-13,15H,6-9H2,1-2H3,(H,25,26);3,10H,4H2,1-2H3,(H,11,12).

What are the key properties of 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid?

3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid has a molecular weight of 1051.69 g/mol, XLogP of 8.57, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid is sourced from PubChem (CID 158394041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).