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

C58H75ClN8O9 — CID 158496922

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

3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 158496922) has the molecular formula C58H75ClN8O9 and a molecular weight of 1063.74 g/mol. Its IUPAC name is 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• PubChem CID: 158496922
• Molecular Formula: C58H75ClN8O9
• Molecular Weight: 1063.74 g/mol
• Exact Mass: 1062.53
• IUPAC Name: 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• SMILES: CC1=CC(C)C(CNC(=O)c2cc3cc(C4=CCOCC4)cn3c(C(C)N3CCOCC3)c2C)C(=O)N1.Cc1c(C(=O)O)cc2cc(C3=CCOCC3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNCl)c(=O)[nH]1
• InChI: InChI=1S/C29H38N4O4.C21H26N2O4.C8H11ClN2O/c1-18-13-19(2)31-29(35)26(18)16-30-28(34)25-15-24-14-23(22-5-9-36-10-6-22)17-33(24)27(20(25)3)21(4)32-7-11-37-12-8-32;1-14-19(21(24)25)12-18-11-17(16-3-7-26-8-4-16)13-23(18)20(14)15(2)22-5-9-27-10-6-22;1-5-3-6(2)11-8(12)7(5)4-10-9/h5,13-15,17-18,21,26H,6-12,16H2,1-4H3,(H,30,34)(H,31,35);3,11-13,15H,4-10H2,1-2H3,(H,24,25);3,10H,4H2,1-2H3,(H,11,12)
• InChIKey: HJKFIDVLXIUIHL-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 192.61 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	1063.74
LogP ≤ 5	7.84
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;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The IUPAC name of 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 158496922) is 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

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

The canonical SMILES for 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is CC1=CC(C)C(CNC(=O)c2cc3cc(C4=CCOCC4)cn3c(C(C)N3CCOCC3)c2C)C(=O)N1.Cc1c(C(=O)O)cc2cc(C3=CCOCC3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNCl)c(=O)[nH]1.

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

The InChIKey is HJKFIDVLXIUIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4.C21H26N2O4.C8H11ClN2O/c1-18-13-19(2)31-29(35)26(18)16-30-28(34)25-15-24-14-23(22-5-9-36-10-6-22)17-33(24)27(20(25)3)21(4)32-7-11-37-12-8-32;1-14-19(21(24)25)12-18-11-17(16-3-7-26-8-4-16)13-23(18)20(14)15(2)22-5-9-27-10-6-22;1-5-3-6(2)11-8(12)7(5)4-10-9/h5,13-15,17-18,21,26H,6-12,16H2,1-4H3,(H,30,34)(H,31,35);3,11-13,15H,4-10H2,1-2H3,(H,24,25);3,10H,4H2,1-2H3,(H,11,12).

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

3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 1063.74 g/mol, XLogP of 7.84, 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;2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 158496922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).