3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid

C17H19Cl2N3O4 — CID 154911843

IUPAC3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NCCNc1ccncc1C.O=CO
InChIInChI=1S/C16H17Cl2N3O2.CH2O2/c1-10-9-19-4-3-14(10)20-5-6-21-16(22)12-7-11(17)8-13(18)15(12)23-2;2-1-3/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H,21,22);1H,(H,2,3)
InChIKeyOSLOTUOHRVQXCG-UHFFFAOYSA-N
MW400.26 g/mol
LogP3.25
Rot. Bonds6

About 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid

3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid (PubChem CID 154911843) has the molecular formula C17H19Cl2N3O4 and a molecular weight of 400.26 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid
PubChem CID154911843
Molecular FormulaC17H19Cl2N3O4
Molecular Weight400.26 g/mol
Exact Mass399.08
IUPAC Name3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)NCCNc1ccncc1C.O=CO
InChIInChI=1S/C16H17Cl2N3O2.CH2O2/c1-10-9-19-4-3-14(10)20-5-6-21-16(22)12-7-11(17)8-13(18)15(12)23-2;2-1-3/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H,21,22);1H,(H,2,3)
InChIKeyOSLOTUOHRVQXCG-UHFFFAOYSA-N
XLogP3.25
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131945076
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
2,5-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrrole-3-carboxamide
CID 131933198
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 124753177
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 131912498
9-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 131942055
(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 126448162
4-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 81227385

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid?
The IUPAC name of 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid (CID 154911843) is 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid.
What is the SMILES notation for 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid?
The canonical SMILES for 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid is COc1c(Cl)cc(Cl)cc1C(=O)NCCNc1ccncc1C.O=CO.
What is the InChIKey of 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid?
The InChIKey is OSLOTUOHRVQXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2.CH2O2/c1-10-9-19-4-3-14(10)20-5-6-21-16(22)12-7-11(17)8-13(18)15(12)23-2;2-1-3/h3-4,7-9H,5-6H2,1-2H3,(H,19,20)(H,21,22);1H,(H,2,3).
What are the key properties of 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid?
3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid has a molecular weight of 400.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]benzamide;formic acid is sourced from PubChem (CID 154911843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).