6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

C17H15ClN4O — CID 16613764

IUPAC6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN4O/c18-16-7-6-14(11-20-16)17(23)19-9-8-13-10-21-22(12-13)15-4-2-1-3-5-15/h1-7,10-12H,8-9H2,(H,19,23)
InChIKeyGSUPCCVIYQYPEM-UHFFFAOYSA-N
MW326.79 g/mol
LogP2.89
Rot. Bonds5

About 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 16613764) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID16613764
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN4O/c18-16-7-6-14(11-20-16)17(23)19-9-8-13-10-21-22(12-13)15-4-2-1-3-5-15/h1-7,10-12H,8-9H2,(H,19,23)
InChIKeyGSUPCCVIYQYPEM-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-(1-phenylpyrazol-4-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 16613872
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 4109180
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 55556558

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide (CID 16613764) is 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is GSUPCCVIYQYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-16-7-6-14(11-20-16)17(23)19-9-8-13-10-21-22(12-13)15-4-2-1-3-5-15/h1-7,10-12H,8-9H2,(H,19,23).
What are the key properties of 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16613764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).