N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C19H19F2N7O — CID 90600867

About N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90600867) has the molecular formula C19H19F2N7O and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 90600867
• Molecular Formula: C19H19F2N7O
• Molecular Weight: 399.41 g/mol
• Exact Mass: 399.16
• IUPAC Name: N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(NCc1c(F)cccc1F)C1CCCN(c2cc(-n3cncn3)ncn2)C1
• InChI: InChI=1S/C19H19F2N7O/c20-15-4-1-5-16(21)14(15)8-23-19(29)13-3-2-6-27(9-13)17-7-18(25-11-24-17)28-12-22-10-26-28/h1,4-5,7,10-13H,2-3,6,8-9H2,(H,23,29)
• InChIKey: IWCQGIGIHPAFIF-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.41
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90600867) is N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is O=C(NCc1c(F)cccc1F)C1CCCN(c2cc(-n3cncn3)ncn2)C1.

What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The InChIKey is IWCQGIGIHPAFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O/c20-15-4-1-5-16(21)14(15)8-23-19(29)13-3-2-6-27(9-13)17-7-18(25-11-24-17)28-12-22-10-26-28/h1,4-5,7,10-13H,2-3,6,8-9H2,(H,23,29).

What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,6-difluorophenyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90600867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).