N,2-bis(2-chloro-3-pyridinyl)acetamide

C12H9Cl2N3O — CID 139691100

IUPACN,2-bis(2-chloro-3-pyridinyl)acetamide
SMILESO=C(Cc1cccnc1Cl)Nc1cccnc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-11-8(3-1-5-15-11)7-10(18)17-9-4-2-6-16-12(9)14/h1-6H,7H2,(H,17,18)
InChIKeyBVWDISLENWSJOD-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.96
Rot. Bonds3

About N,2-bis(2-chloro-3-pyridinyl)acetamide

N,2-bis(2-chloro-3-pyridinyl)acetamide (PubChem CID 139691100) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N,2-bis(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN,2-bis(2-chloro-3-pyridinyl)acetamide
PubChem CID139691100
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN,2-bis(2-chloro-3-pyridinyl)acetamide
SMILESO=C(Cc1cccnc1Cl)Nc1cccnc1Cl
InChIInChI=1S/C12H9Cl2N3O/c13-11-8(3-1-5-15-11)7-10(18)17-9-4-2-6-16-12(9)14/h1-6H,7H2,(H,17,18)
InChIKeyBVWDISLENWSJOD-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2-bis(2-chloro-3-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
N-(2-bromo-6-methoxy-3-pyridinyl)-2-(2-chloro-3-pyridinyl)acetamide
CID 139691105
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 8678630
1-(2-chloro-3-pyridinyl)-3-[(2-fluorophenyl)methyl]urea
CID 47400847
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
1-[(4-chlorophenyl)methyl]-3-(2-chloro-3-pyridinyl)urea
CID 47400753
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388

Frequently Asked Questions

What is the IUPAC name of N,2-bis(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of N,2-bis(2-chloro-3-pyridinyl)acetamide (CID 139691100) is N,2-bis(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for N,2-bis(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for N,2-bis(2-chloro-3-pyridinyl)acetamide is O=C(Cc1cccnc1Cl)Nc1cccnc1Cl.
What is the InChIKey of N,2-bis(2-chloro-3-pyridinyl)acetamide?
The InChIKey is BVWDISLENWSJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-11-8(3-1-5-15-11)7-10(18)17-9-4-2-6-16-12(9)14/h1-6H,7H2,(H,17,18).
What are the key properties of N,2-bis(2-chloro-3-pyridinyl)acetamide?
N,2-bis(2-chloro-3-pyridinyl)acetamide has a molecular weight of 282.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 139691100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).