3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide

C25H29FN6O2 — CID 77420726

About 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 77420726) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide
• PubChem CID: 77420726
• Molecular Formula: C25H29FN6O2
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.23
• IUPAC Name: 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide
• SMILES: CC(C)Oc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1
• InChI: InChI=1S/C25H29FN6O2/c1-15(2)34-17-5-6-19(26)18(12-17)21-8-7-20(28)24(30-21)25(33)31-22-13-29-10-9-23(22)32-11-3-4-16(27)14-32/h5-10,12-13,15-16H,3-4,11,14,27-28H2,1-2H3,(H,31,33)
• InChIKey: GZUHHYZTOKYRIO-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 119.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 77420726) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)Oc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)c1.

What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide?

The InChIKey is GZUHHYZTOKYRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-15(2)34-17-5-6-19(26)18(12-17)21-8-7-20(28)24(30-21)25(33)31-22-13-29-10-9-23(22)32-11-3-4-16(27)14-32/h5-10,12-13,15-16H,3-4,11,14,27-28H2,1-2H3,(H,31,33).

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

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 77420726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).