[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen

C17H26F3N5O — CID 160611907

About [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen

[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen (PubChem CID 160611907) has the molecular formula C17H26F3N5O and a molecular weight of 373.42 g/mol. Its IUPAC name is [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen
• PubChem CID: 160611907
• Molecular Formula: C17H26F3N5O
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.21
• IUPAC Name: [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen
• SMILES: CC(C)[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C17H20F3N5O.3H2/c1-9(2)12(21)8-24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;;;/h3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);3*1H/t12-;;;/m1.../s1
• InChIKey: RFPDICMDVPBDEW-CSIATVMVSA-N
• XLogP: 3.44
• TPSA: 106.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen?

The IUPAC name of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen (CID 160611907) is [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen.

What is the SMILES notation for [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen?

The canonical SMILES for [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen is CC(C)[C@H](N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.[H][H].[H][H].[H][H].

What is the InChIKey of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen?

The InChIKey is RFPDICMDVPBDEW-CSIATVMVSA-N. The full InChI is InChI=1S/C17H20F3N5O.3H2/c1-9(2)12(21)8-24-13-6-5-11(17(18,19)20)14(25-13)15(26)10-4-3-7-23-16(10)22;;;/h3-7,9,12H,8,21H2,1-2H3,(H2,22,23)(H,24,25);3*1H/t12-;;;/m1.../s1.

What are the key properties of [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen?

[6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen has a molecular weight of 373.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[(2S)-2-amino-3-methylbutyl]amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;molecular hydrogen is sourced from PubChem (CID 160611907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).