N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide

C22H17ClN4O — CID 4188027

IUPACN-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2cnn(-c3ccccc3)c2)nc1
InChIInChI=1S/C22H17ClN4O/c23-19-9-6-16(7-10-19)12-25-22(28)17-8-11-21(24-13-17)18-14-26-27(15-18)20-4-2-1-3-5-20/h1-11,13-15H,12H2,(H,25,28)
InChIKeyHLKHQIOPXSZEBL-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.52
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 4188027) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID4188027
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(-c2cnn(-c3ccccc3)c2)nc1
InChIInChI=1S/C22H17ClN4O/c23-19-9-6-16(7-10-19)12-25-22(28)17-8-11-21(24-13-17)18-14-26-27(15-18)20-4-2-1-3-5-20/h1-11,13-15H,12H2,(H,25,28)
InChIKeyHLKHQIOPXSZEBL-UHFFFAOYSA-N
XLogP4.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 4109180
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-cyclopropyl-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4171890
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 86968541
6-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 5065256
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111131664
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
4-chloro-N-[3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide
CID 24609791
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide (CID 4188027) is N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cnn(-c3ccccc3)c2)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is HLKHQIOPXSZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-19-9-6-16(7-10-19)12-25-22(28)17-8-11-21(24-13-17)18-14-26-27(15-18)20-4-2-1-3-5-20/h1-11,13-15H,12H2,(H,25,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4188027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).