N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine

C30H26N6 — CID 145245520

About N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine

N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine (PubChem CID 145245520) has the molecular formula C30H26N6 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine
• PubChem CID: 145245520
• Molecular Formula: C30H26N6
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine
• SMILES: [H]/N=C(\c1cc2c(-c3cccnc3)cccc2[nH]1)c1cc(-c2cncc(NC(=C)C3CC3)c2)cnc1C
• InChI: InChI=1S/C30H26N6/c1-18(20-8-9-20)35-24-11-22(15-33-17-24)23-12-26(19(2)34-16-23)30(31)29-13-27-25(6-3-7-28(27)36-29)21-5-4-10-32-14-21/h3-7,10-17,20,31,35-36H,1,8-9H2,2H3/b31-30-
• InChIKey: YKTTXUUGTZEEDA-KTMFPKCZSA-N
• XLogP: 6.75
• TPSA: 90.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine?

The IUPAC name of N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine (CID 145245520) is N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine.

What is the SMILES notation for N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine?

The canonical SMILES for N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine is [H]/N=C(\c1cc2c(-c3cccnc3)cccc2[nH]1)c1cc(-c2cncc(NC(=C)C3CC3)c2)cnc1C.

What is the InChIKey of N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine?

The InChIKey is YKTTXUUGTZEEDA-KTMFPKCZSA-N. The full InChI is InChI=1S/C30H26N6/c1-18(20-8-9-20)35-24-11-22(15-33-17-24)23-12-26(19(2)34-16-23)30(31)29-13-27-25(6-3-7-28(27)36-29)21-5-4-10-32-14-21/h3-7,10-17,20,31,35-36H,1,8-9H2,2H3/b31-30-.

What are the key properties of N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine?

N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine has a molecular weight of 470.58 g/mol, XLogP of 6.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 145245520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).