N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine

C27H23N5 — CID 174650721

About N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine

N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine (PubChem CID 174650721) has the molecular formula C27H23N5 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
• PubChem CID: 174650721
• Molecular Formula: C27H23N5
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.20
• IUPAC Name: N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
• SMILES: Cc1cc(-c2ccc(CCNc3nccc4cc(-c5cccnc5)ncc34)cc2)ccn1
• InChI: InChI=1S/C27H23N5/c1-19-15-22(9-13-29-19)21-6-4-20(5-7-21)8-12-30-27-25-18-32-26(16-23(25)10-14-31-27)24-3-2-11-28-17-24/h2-7,9-11,13-18H,8,12H2,1H3,(H,30,31)
• InChIKey: QPNMQBBCJFGUSW-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?

The IUPAC name of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine (CID 174650721) is N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine.

What is the SMILES notation for N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?

The canonical SMILES for N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CCNc3nccc4cc(-c5cccnc5)ncc34)cc2)ccn1.

What is the InChIKey of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?

The InChIKey is QPNMQBBCJFGUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5/c1-19-15-22(9-13-29-19)21-6-4-20(5-7-21)8-12-30-27-25-18-32-26(16-23(25)10-14-31-27)24-3-2-11-28-17-24/h2-7,9-11,13-18H,8,12H2,1H3,(H,30,31).

What are the key properties of N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?

N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine has a molecular weight of 417.52 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 174650721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).