6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide

C20H23FN8O — CID 67510063

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide (PubChem CID 67510063) has the molecular formula C20H23FN8O and a molecular weight of 410.46 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide
• PubChem CID: 67510063
• Molecular Formula: C20H23FN8O
• Molecular Weight: 410.46 g/mol
• Exact Mass: 410.20
• IUPAC Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide
• SMILES: NC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2cncn2)c1
• InChI: InChI=1S/C20H23FN8O/c21-15-9-14(18(23)30)19(28-20(15)27-17-7-2-1-6-16(17)22)26-12-4-3-5-13(8-12)29-11-24-10-25-29/h3-5,8-11,16-17H,1-2,6-7,22H2,(H2,23,30)(H2,26,27,28)/t16-,17+/m0/s1
• InChIKey: LLICRWIULSBHKM-DLBZAZTESA-N
• XLogP: 2.33
• TPSA: 136.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.46
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide?

The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide (CID 67510063) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide?

The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2cncn2)c1.

What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide?

The InChIKey is LLICRWIULSBHKM-DLBZAZTESA-N. The full InChI is InChI=1S/C20H23FN8O/c21-15-9-14(18(23)30)19(28-20(15)27-17-7-2-1-6-16(17)22)26-12-4-3-5-13(8-12)29-11-24-10-25-29/h3-5,8-11,16-17H,1-2,6-7,22H2,(H2,23,30)(H2,26,27,28)/t16-,17+/m0/s1.

What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide?

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[3-(1,2,4-triazol-1-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67510063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).