N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide

C23H28N6O3 — CID 147420460

About N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide

N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide (PubChem CID 147420460) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide
• PubChem CID: 147420460
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide
• SMILES: CCC1(C)CCN(C(=O)Nc2ccc(Oc3ccnc(C(=CN)/C=N/C)c3)c(C)n2)C1=O
• InChI: InChI=1S/C23H28N6O3/c1-5-23(3)9-11-29(21(23)30)22(31)28-20-7-6-19(15(2)27-20)32-17-8-10-26-18(12-17)16(13-24)14-25-4/h6-8,10,12-14H,5,9,11,24H2,1-4H3,(H,27,28,31)/b16-13?,25-14+
• InChIKey: IYHTWGPVVIRBPE-BZMPBLHCSA-N
• XLogP: 3.76
• TPSA: 122.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide?

The IUPAC name of N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide (CID 147420460) is N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide.

What is the SMILES notation for N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide?

The canonical SMILES for N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide is CCC1(C)CCN(C(=O)Nc2ccc(Oc3ccnc(C(=CN)/C=N/C)c3)c(C)n2)C1=O.

What is the InChIKey of N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide?

The InChIKey is IYHTWGPVVIRBPE-BZMPBLHCSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-5-23(3)9-11-29(21(23)30)22(31)28-20-7-6-19(15(2)27-20)32-17-8-10-26-18(12-17)16(13-24)14-25-4/h6-8,10,12-14H,5,9,11,24H2,1-4H3,(H,27,28,31)/b16-13?,25-14+.

What are the key properties of N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide?

N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(1-amino-3-methyliminoprop-1-en-2-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-3-ethyl-3-methyl-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 147420460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).