N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide

C23H20FN7O2 — CID 135348160

About N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide

N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 135348160) has the molecular formula C23H20FN7O2 and a molecular weight of 445.46 g/mol. Its IUPAC name is N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
• PubChem CID: 135348160
• Molecular Formula: C23H20FN7O2
• Molecular Weight: 445.46 g/mol
• Exact Mass: 445.17
• IUPAC Name: N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
• SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccncc3)ccc2F)n1
• InChI: InChI=1S/C23H20FN7O2/c1-14(2)31-13-26-30-21(31)19-4-3-5-20(28-19)29-23(33)17-12-16(6-7-18(17)24)27-22(32)15-8-10-25-11-9-15/h3-14H,1-2H3,(H,27,32)(H,28,29,33)
• InChIKey: FEVMUZHNSILMFL-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.46
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide?

The IUPAC name of N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide (CID 135348160) is N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(NC(=O)c3ccncc3)ccc2F)n1.

What is the InChIKey of N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide?

The InChIKey is FEVMUZHNSILMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O2/c1-14(2)31-13-26-30-21(31)19-4-3-5-20(28-19)29-23(33)17-12-16(6-7-18(17)24)27-22(32)15-8-10-25-11-9-15/h3-14H,1-2H3,(H,27,32)(H,28,29,33).

What are the key properties of N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide?

N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 445.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 135348160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).