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

C17H22FN7O2 — CID 67774949

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide (PubChem CID 67774949) has the molecular formula C17H22FN7O2 and a molecular weight of 375.41 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
• PubChem CID: 67774949
• Molecular Formula: C17H22FN7O2
• Molecular Weight: 375.41 g/mol
• Exact Mass: 375.18
• IUPAC Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
• SMILES: COc1ncc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)cc2C(N)=O)cn1
• InChI: InChI=1S/C17H22FN7O2/c1-27-17-21-7-9(8-22-17)23-15-10(14(20)26)6-11(18)16(25-15)24-13-5-3-2-4-12(13)19/h6-8,12-13H,2-5,19H2,1H3,(H2,20,26)(H2,23,24,25)/t12-,13+/m0/s1
• InChIKey: PPKHOISLKPQRJT-QWHCGFSZSA-N
• XLogP: 1.54
• TPSA: 141.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.41
LogP ≤ 5	1.54
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-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide (CID 67774949) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide is COc1ncc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(F)cc2C(N)=O)cn1.

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

The InChIKey is PPKHOISLKPQRJT-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H22FN7O2/c1-27-17-21-7-9(8-22-17)23-15-10(14(20)26)6-11(18)16(25-15)24-13-5-3-2-4-12(13)19/h6-8,12-13H,2-5,19H2,1H3,(H2,20,26)(H2,23,24,25)/t12-,13+/m0/s1.

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 1.54, 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-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67774949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).