4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide

C14H14ClN3O2 — CID 104783024

IUPAC4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)ccnc2Cl)ccc1N
InChIInChI=1S/C14H14ClN3O2/c1-8-5-6-17-13(15)12(8)18-14(19)9-3-4-10(16)11(7-9)20-2/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyGEXOWKXZHDXPNG-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.89
Rot. Bonds3

About 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide

4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide (PubChem CID 104783024) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
PubChem CID104783024
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)ccnc2Cl)ccc1N
InChIInChI=1S/C14H14ClN3O2/c1-8-5-6-17-13(15)12(8)18-14(19)9-3-4-10(16)11(7-9)20-2/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyGEXOWKXZHDXPNG-UHFFFAOYSA-N
XLogP2.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65490876
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
4-chloro-N-[2-chloro-4-(methylamino)-3-pyridinyl]-3-methoxybenzamide
CID 58065673
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
4-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-nitrobenzamide
CID 65490473
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
N-(2-chloro-4-methyl-3-pyridinyl)-1H-indole-6-carboxamide
CID 65490101

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide (CID 104783024) is 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2c(C)ccnc2Cl)ccc1N.
What is the InChIKey of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide?
The InChIKey is GEXOWKXZHDXPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-5-6-17-13(15)12(8)18-14(19)9-3-4-10(16)11(7-9)20-2/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide?
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide has a molecular weight of 291.74 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide is sourced from PubChem (CID 104783024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).