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

C21H25N9O2 — CID 69284244

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

2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide (PubChem CID 69284244) has the molecular formula C21H25N9O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
• PubChem CID: 69284244
• Molecular Formula: C21H25N9O2
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.21
• IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
• SMILES: NC(=O)c1cc(C(N)=O)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1
• InChI: InChI=1S/C21H25N9O2/c22-16-6-1-2-7-17(16)28-21-15(19(24)32)11-14(18(23)31)20(29-21)27-12-4-3-5-13(10-12)30-25-8-9-26-30/h3-5,8-11,16-17H,1-2,6-7,22H2,(H2,23,31)(H2,24,32)(H2,27,28,29)/t16-,17+/m0/s1
• InChIKey: MZFLCBACWSJWBW-DLBZAZTESA-N
• XLogP: 1.29
• TPSA: 179.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide (CID 69284244) is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide.

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

The canonical SMILES for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide is NC(=O)c1cc(C(N)=O)c(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1.

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

The InChIKey is MZFLCBACWSJWBW-DLBZAZTESA-N. The full InChI is InChI=1S/C21H25N9O2/c22-16-6-1-2-7-17(16)28-21-15(19(24)32)11-14(18(23)31)20(29-21)27-12-4-3-5-13(10-12)30-25-8-9-26-30/h3-5,8-11,16-17H,1-2,6-7,22H2,(H2,23,31)(H2,24,32)(H2,27,28,29)/t16-,17+/m0/s1.

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

2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide has a molecular weight of 435.49 g/mol, XLogP of 1.29, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 69284244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).