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

C48H59Cl3N8O7 — CID 158363022

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

3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 158363022) has the molecular formula C48H59Cl3N8O7 and a molecular weight of 966.41 g/mol. Its IUPAC name is 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-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-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• PubChem CID: 158363022
• Molecular Formula: C48H59Cl3N8O7
• Molecular Weight: 966.41 g/mol
• Exact Mass: 964.36
• IUPAC Name: 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• SMILES: Cc1c(C(=O)O)cc2cc(Cl)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(Cl)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1
• InChI: InChI=1S/C24H29ClN4O3.C16H19ClN2O3.C8H11ClN2O/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25)13-29(19)22(16(20)3)17(4)28-5-7-32-8-6-28;1-10-14(16(20)21)8-13-7-12(17)9-19(13)15(10)11(2)18-3-5-22-6-4-18;1-5-3-6(2)11-8(12)7(5)4-10-9/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31);7-9,11H,3-6H2,1-2H3,(H,20,21);3,10H,4H2,1-2H3,(H,11,12)
• InChIKey: GTRSGIUUALUJHQ-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 177.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.41
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

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-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-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-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 158363022) is 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-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-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-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-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(Cl)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(Cl)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;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The InChIKey is GTRSGIUUALUJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3.C16H19ClN2O3.C8H11ClN2O/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25)13-29(19)22(16(20)3)17(4)28-5-7-32-8-6-28;1-10-14(16(20)21)8-13-7-12(17)9-19(13)15(10)11(2)18-3-5-22-6-4-18;1-5-3-6(2)11-8(12)7(5)4-10-9/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31);7-9,11H,3-6H2,1-2H3,(H,20,21);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-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 966.41 g/mol, XLogP of 7.76, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;2-chloro-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 158363022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).