4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

C24H29F4N7O3 — CID 126680713

About 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide

4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 126680713) has the molecular formula C24H29F4N7O3 and a molecular weight of 539.53 g/mol. Its IUPAC name is 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
• PubChem CID: 126680713
• Molecular Formula: C24H29F4N7O3
• Molecular Weight: 539.53 g/mol
• Exact Mass: 539.23
• IUPAC Name: 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide
• SMILES: CC(=O)c1nc(C2CCN(c3nc(OCC4CC(F)C4)nc(C(=O)N[C@@H](C)C(F)(F)F)n3)CC2)ccc1N
• InChI: InChI=1S/C24H29F4N7O3/c1-12(36)19-17(29)3-4-18(31-19)15-5-7-35(8-6-15)22-32-20(21(37)30-13(2)24(26,27)28)33-23(34-22)38-11-14-9-16(25)10-14/h3-4,13-16H,5-11,29H2,1-2H3,(H,30,37)/t13-,14?,16?/m0/s1
• InChIKey: PZTAXYJLGDPLPC-HLIUYOAVSA-N
• XLogP: 3.24
• TPSA: 136.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.53
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

The IUPAC name of 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide (CID 126680713) is 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide is CC(=O)c1nc(C2CCN(c3nc(OCC4CC(F)C4)nc(C(=O)N[C@@H](C)C(F)(F)F)n3)CC2)ccc1N.

What is the InChIKey of 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

The InChIKey is PZTAXYJLGDPLPC-HLIUYOAVSA-N. The full InChI is InChI=1S/C24H29F4N7O3/c1-12(36)19-17(29)3-4-18(31-19)15-5-7-35(8-6-15)22-32-20(21(37)30-13(2)24(26,27)28)33-23(34-22)38-11-14-9-16(25)10-14/h3-4,13-16H,5-11,29H2,1-2H3,(H,30,37)/t13-,14?,16?/m0/s1.

What are the key properties of 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide?

4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 539.53 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(6-acetyl-5-amino-2-pyridinyl)piperidin-1-yl]-6-[(3-fluorocyclobutyl)methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 126680713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).