(8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine

C27H35N5O — CID 71590900

About (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine

(8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine (PubChem CID 71590900) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine.

Molecular Properties

• Compound Name: (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine
• PubChem CID: 71590900
• Molecular Formula: C27H35N5O
• Molecular Weight: 445.61 g/mol
• Exact Mass: 445.28
• IUPAC Name: (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine
• SMILES: CN1CC2=C(OC(N)=C(CN)C2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1
• InChI: InChI=1S/C27H35N5O/c1-30(2)21-10-6-18(7-11-21)14-20-16-32(5)17-24-25(23(15-28)27(29)33-26(20)24)19-8-12-22(13-9-19)31(3)4/h6-14,25H,15-17,28-29H2,1-5H3/b20-14+
• InChIKey: OISSBAKSHHVKRS-XSFVSMFZSA-N
• XLogP: 3.34
• TPSA: 70.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.61
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?

The IUPAC name of (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine (CID 71590900) is (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine.

What is the SMILES notation for (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?

The canonical SMILES for (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine is CN1CC2=C(OC(N)=C(CN)C2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1.

What is the InChIKey of (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?

The InChIKey is OISSBAKSHHVKRS-XSFVSMFZSA-N. The full InChI is InChI=1S/C27H35N5O/c1-30(2)21-10-6-18(7-11-21)14-20-16-32(5)17-24-25(23(15-28)27(29)33-26(20)24)19-8-12-22(13-9-19)31(3)4/h6-14,25H,15-17,28-29H2,1-5H3/b20-14+.

What are the key properties of (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine?

(8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine has a molecular weight of 445.61 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8E)-3-(aminomethyl)-4-[4-(dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridin-2-amine is sourced from PubChem (CID 71590900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).