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

C20H22FN7O2 — CID 152912147

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

6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 152912147) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 152912147
• Molecular Formula: C20H22FN7O2
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.18
• IUPAC Name: 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: NC(=O)c1cc(F)c(N[C@@H]2CCCCC2N)nc1Nc1cncc(-c2cnco2)c1
• InChI: InChI=1S/C20H22FN7O2/c21-14-6-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-5-11(7-24-8-12)17-9-25-10-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28)/t15?,16-/m1/s1
• InChIKey: UHKJASQCIPDNPT-OEMAIJDKSA-N
• XLogP: 2.80
• TPSA: 144.98 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	411.44
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (CID 152912147) is 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCCCC2N)nc1Nc1cncc(-c2cnco2)c1.

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

The InChIKey is UHKJASQCIPDNPT-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H22FN7O2/c21-14-6-13(18(23)29)19(28-20(14)27-16-4-2-1-3-15(16)22)26-12-5-11(7-24-8-12)17-9-25-10-30-17/h5-10,15-16H,1-4,22H2,(H2,23,29)(H2,26,27,28)/t15?,16-/m1/s1.

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

6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-[[5-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 152912147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).