4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile

C21H25N7O — CID 10200474

About 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile

4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 10200474) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile
• PubChem CID: 10200474
• Molecular Formula: C21H25N7O
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.21
• IUPAC Name: 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile
• SMILES: Cc1cc(OC[C@H](C)Nc2ccncc2C#N)cc(-c2nnnn2CC(C)C)c1
• InChI: InChI=1S/C21H25N7O/c1-14(2)12-28-21(25-26-27-28)17-7-15(3)8-19(9-17)29-13-16(4)24-20-5-6-23-11-18(20)10-22/h5-9,11,14,16H,12-13H2,1-4H3,(H,23,24)/t16-/m0/s1
• InChIKey: JPWIKYDHXATTBY-INIZCTEOSA-N
• XLogP: 3.45
• TPSA: 101.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile?

The IUPAC name of 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile (CID 10200474) is 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile is Cc1cc(OC[C@H](C)Nc2ccncc2C#N)cc(-c2nnnn2CC(C)C)c1.

What is the InChIKey of 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile?

The InChIKey is JPWIKYDHXATTBY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14(2)12-28-21(25-26-27-28)17-7-15(3)8-19(9-17)29-13-16(4)24-20-5-6-23-11-18(20)10-22/h5-9,11,14,16H,12-13H2,1-4H3,(H,23,24)/t16-/m0/s1.

What are the key properties of 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile?

4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 391.48 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2S)-1-[3-methyl-5-[1-(2-methylpropyl)tetrazol-5-yl]phenoxy]propan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 10200474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).