N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide

C13H11Cl2N3O — CID 149149167

IUPACN-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(Cl)c(Cl)cc2N)cc1
InChIInChI=1S/C13H11Cl2N3O/c1-7-2-4-8(5-3-7)13(19)18-12-10(16)6-9(14)11(15)17-12/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyUTSYZEDVDUERSJ-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.53
Rot. Bonds2

About N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide

N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide (PubChem CID 149149167) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide
PubChem CID149149167
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(Cl)c(Cl)cc2N)cc1
InChIInChI=1S/C13H11Cl2N3O/c1-7-2-4-8(5-3-7)13(19)18-12-10(16)6-9(14)11(15)17-12/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyUTSYZEDVDUERSJ-UHFFFAOYSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5,6-dichloro-3-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]-4-methylbenzamide
CID 149149605
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
2-amino-6-chloro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62156439
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
3-amino-N-(3,4-dichloro-2-pyridinyl)-4-methylbenzamide
CID 141026180
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide?
The IUPAC name of N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide (CID 149149167) is N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide?
The canonical SMILES for N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(Cl)c(Cl)cc2N)cc1.
What is the InChIKey of N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide?
The InChIKey is UTSYZEDVDUERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-2-4-8(5-3-7)13(19)18-12-10(16)6-9(14)11(15)17-12/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide?
N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide has a molecular weight of 296.16 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5,6-dichloro-2-pyridinyl)-4-methylbenzamide is sourced from PubChem (CID 149149167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).