6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile

C20H15N5O — CID 164915881

About 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile

6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile (PubChem CID 164915881) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile
• PubChem CID: 164915881
• Molecular Formula: C20H15N5O
• Molecular Weight: 341.37 g/mol
• Exact Mass: 341.13
• IUPAC Name: 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile
• SMILES: N#Cc1cccc(C[C@H](N)c2ncccc2-c2noc3ccccc23)n1
• InChI: InChI=1S/C20H15N5O/c21-12-14-6-3-5-13(24-14)11-17(22)20-16(8-4-10-23-20)19-15-7-1-2-9-18(15)26-25-19/h1-10,17H,11,22H2/t17-/m0/s1
• InChIKey: KOTDDZIJLUVJPS-KRWDZBQOSA-N
• XLogP: 3.40
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.37
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile?

The IUPAC name of 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile (CID 164915881) is 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile is N#Cc1cccc(C[C@H](N)c2ncccc2-c2noc3ccccc23)n1.

What is the InChIKey of 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile?

The InChIKey is KOTDDZIJLUVJPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15N5O/c21-12-14-6-3-5-13(24-14)11-17(22)20-16(8-4-10-23-20)19-15-7-1-2-9-18(15)26-25-19/h1-10,17H,11,22H2/t17-/m0/s1.

What are the key properties of 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile?

6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 164915881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).