4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile

C24H25N5O2 — CID 167429814

About 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile

4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile (PubChem CID 167429814) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile.

Molecular Properties

• Compound Name: 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile
• PubChem CID: 167429814
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile
• SMILES: Cc1cc(Oc2cc(C#N)ccc2-c2ccc(C(C)N)cn2)cc(N2CCOCC2)n1
• InChI: InChI=1S/C24H25N5O2/c1-16-11-20(13-24(28-16)29-7-9-30-10-8-29)31-23-12-18(14-25)3-5-21(23)22-6-4-19(15-27-22)17(2)26/h3-6,11-13,15,17H,7-10,26H2,1-2H3
• InChIKey: VJWWFBNHUZTMQW-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

The IUPAC name of 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile (CID 167429814) is 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile.

What is the SMILES notation for 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

The canonical SMILES for 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile is Cc1cc(Oc2cc(C#N)ccc2-c2ccc(C(C)N)cn2)cc(N2CCOCC2)n1.

What is the InChIKey of 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

The InChIKey is VJWWFBNHUZTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-11-20(13-24(28-16)29-7-9-30-10-8-29)31-23-12-18(14-25)3-5-21(23)22-6-4-19(15-27-22)17(2)26/h3-6,11-13,15,17H,7-10,26H2,1-2H3.

What are the key properties of 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile has a molecular weight of 415.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1-aminoethyl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 167429814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).