N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide

C21H16N4O2 — CID 71906378

IUPACN-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1Oc1cccnc1
InChIInChI=1S/C21H16N4O2/c26-21(25-17-6-3-5-15(11-17)16-12-23-24-13-16)19-8-1-2-9-20(19)27-18-7-4-10-22-14-18/h1-14H,(H,23,24)(H,25,26)
InChIKeyMBXJKLKTVIZHKF-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.52
Rot. Bonds5

About N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide

N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide (PubChem CID 71906378) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide
PubChem CID71906378
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide
SMILESO=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1Oc1cccnc1
InChIInChI=1S/C21H16N4O2/c26-21(25-17-6-3-5-15(11-17)16-12-23-24-13-16)19-8-1-2-9-20(19)27-18-7-4-10-22-14-18/h1-14H,(H,23,24)(H,25,26)
InChIKeyMBXJKLKTVIZHKF-UHFFFAOYSA-N
XLogP4.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3402859
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5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide
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N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
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N-(3-fluorophenyl)-2-phenoxybenzamide
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8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
CID 86650444
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenoxybenzamide
CID 122284880
2-oxo-N-(3-phenoxyphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692554
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-2-pyridin-3-yloxybenzamide
CID 75398872

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide?
The IUPAC name of N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide (CID 71906378) is N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide is O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1Oc1cccnc1.
What is the InChIKey of N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide?
The InChIKey is MBXJKLKTVIZHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(25-17-6-3-5-15(11-17)16-12-23-24-13-16)19-8-1-2-9-20(19)27-18-7-4-10-22-14-18/h1-14H,(H,23,24)(H,25,26).
What are the key properties of N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide?
N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide has a molecular weight of 356.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide is sourced from PubChem (CID 71906378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).