7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine

C24H25N5O — CID 118871006

About 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine

7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 118871006) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

• Compound Name: 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine
• PubChem CID: 118871006
• Molecular Formula: C24H25N5O
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.21
• IUPAC Name: 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine
• SMILES: Cc1cc(-c2nccc3c(Nc4ccccc4N4CCCCC4)c(N)oc23)ccn1
• InChI: InChI=1S/C24H25N5O/c1-16-15-17(9-11-26-16)21-23-18(10-12-27-21)22(24(25)30-23)28-19-7-3-4-8-20(19)29-13-5-2-6-14-29/h3-4,7-12,15,28H,2,5-6,13-14,25H2,1H3
• InChIKey: VFVDZDRDFKDIBQ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 80.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?

The IUPAC name of 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine (CID 118871006) is 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine.

What is the SMILES notation for 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?

The canonical SMILES for 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine is Cc1cc(-c2nccc3c(Nc4ccccc4N4CCCCC4)c(N)oc23)ccn1.

What is the InChIKey of 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?

The InChIKey is VFVDZDRDFKDIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-15-17(9-11-26-16)21-23-18(10-12-27-21)22(24(25)30-23)28-19-7-3-4-8-20(19)29-13-5-2-6-14-29/h3-4,7-12,15,28H,2,5-6,13-14,25H2,1H3.

What are the key properties of 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?

7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 399.50 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-methyl-4-pyridinyl)-3-N-(2-piperidin-1-ylphenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118871006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).