6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide

C22H31FN8O — CID 135305758

About 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide

6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 135305758) has the molecular formula C22H31FN8O and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 135305758
• Molecular Formula: C22H31FN8O
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.26
• IUPAC Name: 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CN1CCN(c2cncc(Nc3nc(NC4CCCCC4N)c(F)cc3C(N)=O)c2)CC1
• InChI: InChI=1S/C22H31FN8O/c1-30-6-8-31(9-7-30)15-10-14(12-26-13-15)27-21-16(20(25)32)11-17(23)22(29-21)28-19-5-3-2-4-18(19)24/h10-13,18-19H,2-9,24H2,1H3,(H2,25,32)(H2,27,28,29)
• InChIKey: GPWRAMNDTXXWIY-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 125.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide (CID 135305758) is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is CN1CCN(c2cncc(Nc3nc(NC4CCCCC4N)c(F)cc3C(N)=O)c2)CC1.

What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is GPWRAMNDTXXWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN8O/c1-30-6-8-31(9-7-30)15-10-14(12-26-13-15)27-21-16(20(25)32)11-17(23)22(29-21)28-19-5-3-2-4-18(19)24/h10-13,18-19H,2-9,24H2,1H3,(H2,25,32)(H2,27,28,29).

What are the key properties of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide?

6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135305758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).