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

C29H34N6O3 — CID 138733420

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

2-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 138733420) has the molecular formula C29H34N6O3 and a molecular weight of 514.63 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-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-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• PubChem CID: 138733420
• Molecular Formula: C29H34N6O3
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.27
• IUPAC Name: 2-(6-amino-3-pyridinyl)-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(-c4ccc(N)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C29H34N6O3/c1-17-11-18(2)33-29(37)25(17)15-32-28(36)24-13-23-12-22(21-5-6-26(30)31-14-21)16-35(23)27(19(24)3)20(4)34-7-9-38-10-8-34/h5-6,11-14,16,20H,7-10,15H2,1-4H3,(H2,30,31)(H,32,36)(H,33,37)
• InChIKey: SYUIDTOKWLGRJL-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 117.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-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-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 138733420) is 2-(6-amino-3-pyridinyl)-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-(6-amino-3-pyridinyl)-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-(6-amino-3-pyridinyl)-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(-c4ccc(N)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.

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

The InChIKey is SYUIDTOKWLGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3/c1-17-11-18(2)33-29(37)25(17)15-32-28(36)24-13-23-12-22(21-5-6-26(30)31-14-21)16-35(23)27(19(24)3)20(4)34-7-9-38-10-8-34/h5-6,11-14,16,20H,7-10,15H2,1-4H3,(H2,30,31)(H,32,36)(H,33,37).

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

2-(6-amino-3-pyridinyl)-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 514.63 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-3-pyridinyl)-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 138733420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).