6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide

C17H21FN6O2 — CID 123968917

About 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide

6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 123968917) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
• PubChem CID: 123968917
• Molecular Formula: C17H21FN6O2
• Molecular Weight: 360.39 g/mol
• Exact Mass: 360.17
• IUPAC Name: 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
• SMILES: CCC(C(N)=O)N(C)c1nc(Nc2cncc(C)c2)c(C(N)=O)cc1F
• InChI: InChI=1S/C17H21FN6O2/c1-4-13(15(20)26)24(3)17-12(18)6-11(14(19)25)16(23-17)22-10-5-9(2)7-21-8-10/h5-8,13H,4H2,1-3H3,(H2,19,25)(H2,20,26)(H,22,23)
• InChIKey: JABPLVDZCKLGOJ-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 127.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.39
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide (CID 123968917) is 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide is CCC(C(N)=O)N(C)c1nc(Nc2cncc(C)c2)c(C(N)=O)cc1F.

What is the InChIKey of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?

The InChIKey is JABPLVDZCKLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-4-13(15(20)26)24(3)17-12(18)6-11(14(19)25)16(23-17)22-10-5-9(2)7-21-8-10/h5-8,13H,4H2,1-3H3,(H2,19,25)(H2,20,26)(H,22,23).

What are the key properties of 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide?

6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 123968917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).