3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C14H13Cl2N3O — CID 114698144

IUPAC3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c1-8-6-18-3-2-9(8)7-19-14(20)10-4-11(15)13(16)12(17)5-10/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyRHCUDFHVNYIZRD-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.21
Rot. Bonds3

About 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide

3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114698144) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114698144
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CNC(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c1-8-6-18-3-2-9(8)7-19-14(20)10-4-11(15)13(16)12(17)5-10/h2-6H,7,17H2,1H3,(H,19,20)
InChIKeyRHCUDFHVNYIZRD-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701884
3-amino-4,5-dichloro-N-(4-methyl-3-pyridinyl)benzamide
CID 63326386
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114698144) is 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CNC(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is RHCUDFHVNYIZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8-6-18-3-2-9(8)7-19-14(20)10-4-11(15)13(16)12(17)5-10/h2-6H,7,17H2,1H3,(H,19,20).
What are the key properties of 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 310.18 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114698144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).