(8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C30H25Cl2N3O — CID 56960502

About (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

(8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 56960502) has the molecular formula C30H25Cl2N3O and a molecular weight of 514.46 g/mol. Its IUPAC name is (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 56960502
• Molecular Formula: C30H25Cl2N3O
• Molecular Weight: 514.46 g/mol
• Exact Mass: 513.14
• IUPAC Name: (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: Cc1ccc(CN2CC3=C(OC(N)=C(C#N)C3c3ccccc3Cl)/C(=C\c3ccccc3Cl)C2)cc1
• InChI: InChI=1S/C30H25Cl2N3O/c1-19-10-12-20(13-11-19)16-35-17-22(14-21-6-2-4-8-26(21)31)29-25(18-35)28(24(15-33)30(34)36-29)23-7-3-5-9-27(23)32/h2-14,28H,16-18,34H2,1H3/b22-14-
• InChIKey: OAYCKZJFFHQJJO-HMAPJEAMSA-N
• XLogP: 6.96
• TPSA: 62.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.46
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dhp_amino_CN_A(13)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 56960502) is (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1ccc(CN2CC3=C(OC(N)=C(C#N)C3c3ccccc3Cl)/C(=C\c3ccccc3Cl)C2)cc1.

What is the InChIKey of (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is OAYCKZJFFHQJJO-HMAPJEAMSA-N. The full InChI is InChI=1S/C30H25Cl2N3O/c1-19-10-12-20(13-11-19)16-35-17-22(14-21-6-2-4-8-26(21)31)29-25(18-35)28(24(15-33)30(34)36-29)23-7-3-5-9-27(23)32/h2-14,28H,16-18,34H2,1H3/b22-14-.

What are the key properties of (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

(8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 514.46 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (8Z)-2-amino-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-6-[(4-methylphenyl)methyl]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 56960502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).