3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide

C17H14Cl2N4O — CID 41413238

IUPAC3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c18-14-6-7-15(19)22-16(14)17(24)20-10-8-12-2-4-13(5-3-12)23-11-1-9-21-23/h1-7,9,11H,8,10H2,(H,20,24)
InChIKeyMMKLPWYSOGYHTM-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.55
Rot. Bonds5

About 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 41413238) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID41413238
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2N4O/c18-14-6-7-15(19)22-16(14)17(24)20-10-8-12-2-4-13(5-3-12)23-11-1-9-21-23/h1-7,9,11H,8,10H2,(H,20,24)
InChIKeyMMKLPWYSOGYHTM-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.55
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

2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
CID 41412655
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 41413162
3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 43045643
1-(3,4-dichlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
CID 56581685
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide (CID 41413238) is 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is MMKLPWYSOGYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-14-6-7-15(19)22-16(14)17(24)20-10-8-12-2-4-13(5-3-12)23-11-1-9-21-23/h1-7,9,11H,8,10H2,(H,20,24).
What are the key properties of 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 41413238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).