3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide

C29H36N6O3 — CID 142300511

About 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide

3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide (PubChem CID 142300511) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide.

Molecular Properties

• Compound Name: 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide
• PubChem CID: 142300511
• Molecular Formula: C29H36N6O3
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.28
• IUPAC Name: 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide
• SMILES: Cc1cc(C)c(Cc2cc3cc(-c4ccc(N)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.NC=O
• InChI: InChI=1S/C28H33N5O2.CH3NO/c1-17-11-18(2)31-28(34)25(17)14-22-12-24-13-23(21-5-6-26(29)30-15-21)16-33(24)27(19(22)3)20(4)32-7-9-35-10-8-32;2-1-3/h5-6,11-13,15-16,20H,7-10,14H2,1-4H3,(H2,29,30)(H,31,34);1H,(H2,2,3)
• InChIKey: OACJNAFDQIYFBA-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 131.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide?

The IUPAC name of 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide (CID 142300511) is 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide.

What is the SMILES notation for 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide?

The canonical SMILES for 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide is Cc1cc(C)c(Cc2cc3cc(-c4ccc(N)nc4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.NC=O.

What is the InChIKey of 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide?

The InChIKey is OACJNAFDQIYFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.CH3NO/c1-17-11-18(2)31-28(34)25(17)14-22-12-24-13-23(21-5-6-26(29)30-15-21)16-33(24)27(19(22)3)20(4)32-7-9-35-10-8-32;2-1-3/h5-6,11-13,15-16,20H,7-10,14H2,1-4H3,(H2,29,30)(H,31,34);1H,(H2,2,3).

What are the key properties of 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide?

3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide has a molecular weight of 516.65 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(6-amino-3-pyridinyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-7-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one;formamide is sourced from PubChem (CID 142300511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).