N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide

C22H17N5O2 — CID 167847500

IUPACN-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1ccncc1
InChIInChI=1S/C22H17N5O2/c28-21(16-9-12-23-13-10-16)25-17-5-3-6-18(15-17)26-22(29)19-7-1-2-8-20(19)27-14-4-11-24-27/h1-15H,(H,25,28)(H,26,29)
InChIKeySXOGJIVCGQFSOS-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.77
Rot. Bonds5

About N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide

N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide (PubChem CID 167847500) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
PubChem CID167847500
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1ccncc1
InChIInChI=1S/C22H17N5O2/c28-21(16-9-12-23-13-10-16)25-17-5-3-6-18(15-17)26-22(29)19-7-1-2-8-20(19)27-14-4-11-24-27/h1-15H,(H,25,28)(H,26,29)
InChIKeySXOGJIVCGQFSOS-UHFFFAOYSA-N
XLogP3.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
N-(1H-indazol-5-yl)-2-pyrazol-1-ylbenzamide
CID 87000919
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
N-(4-pyrazin-2-yloxyphenyl)-2-pyrazol-1-ylbenzamide
CID 47047378
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
CID 87004304
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523
N-[3-(3-phenylpropanoylamino)phenyl]pyridine-4-carboxamide
CID 17222895
3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
CID 122380402

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide (CID 167847500) is N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(NC(=O)c2ccccc2-n2cccn2)c1)c1ccncc1.
What is the InChIKey of N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide?
The InChIKey is SXOGJIVCGQFSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-21(16-9-12-23-13-10-16)25-17-5-3-6-18(15-17)26-22(29)19-7-1-2-8-20(19)27-14-4-11-24-27/h1-15H,(H,25,28)(H,26,29).
What are the key properties of N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide?
N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 167847500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).