N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C20H13Cl2N5O2 — CID 55764817

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55764817) has the molecular formula C20H13Cl2N5O2 and a molecular weight of 426.26 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
• PubChem CID: 55764817
• Molecular Formula: C20H13Cl2N5O2
• Molecular Weight: 426.26 g/mol
• Exact Mass: 425.04
• IUPAC Name: N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
• SMILES: O=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccc(-n2cccn2)nc1
• InChI: InChI=1S/C20H13Cl2N5O2/c21-14-10-15(22)20(24-12-14)29-17-5-2-1-4-16(17)26-19(28)13-6-7-18(23-11-13)27-9-3-8-25-27/h1-12H,(H,26,28)
• InChIKey: HSRIJWOPXCONKX-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.26
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?

The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55764817) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?

The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide is O=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)c1ccc(-n2cccn2)nc1.

What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?

The InChIKey is HSRIJWOPXCONKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N5O2/c21-14-10-15(22)20(24-12-14)29-17-5-2-1-4-16(17)26-19(28)13-6-7-18(23-11-13)27-9-3-8-25-27/h1-12H,(H,26,28).

What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 426.26 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55764817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).