N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide

C29H38N4O5 — CID 139311433

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide (PubChem CID 139311433) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide
• PubChem CID: 139311433
• Molecular Formula: C29H38N4O5
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.28
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(C3CCOCC3)cn2c(C(C)N2CCOCC2)c1C
• InChI: InChI=1S/C29H38N4O5/c1-18-13-26(36-4)25(29(35)31-18)16-30-28(34)24-15-23-14-22(21-5-9-37-10-6-21)17-33(23)27(19(24)2)20(3)32-7-11-38-12-8-32/h13-15,17,20-21H,5-12,16H2,1-4H3,(H,30,34)(H,31,35)
• InChIKey: BWMHGALKGNSIDN-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 97.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide?

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide (CID 139311433) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(C3CCOCC3)cn2c(C(C)N2CCOCC2)c1C.

What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide?

The InChIKey is BWMHGALKGNSIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O5/c1-18-13-26(36-4)25(29(35)31-18)16-30-28(34)24-15-23-14-22(21-5-9-37-10-6-21)17-33(23)27(19(24)2)20(3)32-7-11-38-12-8-32/h13-15,17,20-21H,5-12,16H2,1-4H3,(H,30,34)(H,31,35).

What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide is sourced from PubChem (CID 139311433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).