N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide

C17H12ClN3O — CID 59673856

IUPACN-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H12ClN3O/c18-16-15(4-2-10-20-16)21-17(22)13-7-5-12(6-8-13)14-3-1-9-19-11-14/h1-11H,(H,21,22)
InChIKeyIMVQFHVSFWMXJO-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.05
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide

N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide (PubChem CID 59673856) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
PubChem CID59673856
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC NameN-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H12ClN3O/c18-16-15(4-2-10-20-16)21-17(22)13-7-5-12(6-8-13)14-3-1-9-19-11-14/h1-11H,(H,21,22)
InChIKeyIMVQFHVSFWMXJO-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
CID 103607627
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 59811361

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide (CID 59673856) is N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide is O=C(Nc1cccnc1Cl)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide?
The InChIKey is IMVQFHVSFWMXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-16-15(4-2-10-20-16)21-17(22)13-7-5-12(6-8-13)14-3-1-9-19-11-14/h1-11H,(H,21,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide?
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide has a molecular weight of 309.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 59673856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).