N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C17H15ClN4O — CID 2310767

IUPACN-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3Cl)cc2)n1
InChIInChI=1S/C17H15ClN4O/c1-11-10-12(2)22(21-11)14-7-5-13(6-8-14)17(23)20-15-4-3-9-19-16(15)18/h3-10H,1-2H3,(H,20,23)
InChIKeyPGMDDEWSRHBPHF-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.79
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2310767) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2310767
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3Cl)cc2)n1
InChIInChI=1S/C17H15ClN4O/c1-11-10-12(2)22(21-11)14-7-5-13(6-8-14)17(23)20-15-4-3-9-19-16(15)18/h3-10H,1-2H3,(H,20,23)
InChIKeyPGMDDEWSRHBPHF-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2310767) is N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3Cl)cc2)n1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is PGMDDEWSRHBPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-10-12(2)22(21-11)14-7-5-13(6-8-14)17(23)20-15-4-3-9-19-16(15)18/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 326.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2310767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).