N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide

C15H15Cl2N3O — CID 103738351

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9-7-12(16)18-14(17)13(9)19-15(21)10-5-4-6-11(8-10)20(2)3/h4-8H,1-3H3,(H,19,21)
InChIKeyPWBDNSOSQJZSAA-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.02
Rot. Bonds3

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide (PubChem CID 103738351) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide
PubChem CID103738351
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide
SMILESCc1cc(Cl)nc(Cl)c1NC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9-7-12(16)18-14(17)13(9)19-15(21)10-5-4-6-11(8-10)20(2)3/h4-8H,1-3H3,(H,19,21)
InChIKeyPWBDNSOSQJZSAA-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.02
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-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide
CID 103738285
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(5-bromo-6-chloro-3-pyridinyl)-3-(dimethylamino)benzamide
CID 75430292
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-(2,4-dimethylphenyl)benzamide
CID 2081678
3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
CID 110660161
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506
3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 103738307
5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
CID 103738286
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide
CID 22594113
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide (CID 103738351) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide is Cc1cc(Cl)nc(Cl)c1NC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide?
The InChIKey is PWBDNSOSQJZSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9-7-12(16)18-14(17)13(9)19-15(21)10-5-4-6-11(8-10)20(2)3/h4-8H,1-3H3,(H,19,21).
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide has a molecular weight of 324.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 103738351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).