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

C31H34N4O5 — CID 139311457

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

2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 139311457) has the molecular formula C31H34N4O5 and a molecular weight of 542.64 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• PubChem CID: 139311457
• Molecular Formula: C31H34N4O5
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.25
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc5c(c4)OCO5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C31H34N4O5/c1-18-11-19(2)33-31(37)26(18)15-32-30(36)25-14-24-12-23(22-5-6-27-28(13-22)40-17-39-27)16-35(24)29(20(25)3)21(4)34-7-9-38-10-8-34/h5-6,11-14,16,21H,7-10,15,17H2,1-4H3,(H,32,36)(H,33,37)
• InChIKey: RDCVRRFQYGKDPO-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 97.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 139311457) is 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

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

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccc5c(c4)OCO5)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.

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

The InChIKey is RDCVRRFQYGKDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O5/c1-18-11-19(2)33-31(37)26(18)15-32-30(36)25-14-24-12-23(22-5-6-27-28(13-22)40-17-39-27)16-35(24)29(20(25)3)21(4)34-7-9-38-10-8-34/h5-6,11-14,16,21H,7-10,15,17H2,1-4H3,(H,32,36)(H,33,37).

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

2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 542.64 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 139311457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).