5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

C16H18ClN3O2 — CID 109227744

IUPAC5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H18ClN3O2/c1-11-7-13(17)3-4-15(11)20-14-8-12(9-18-10-14)16(21)19-5-6-22-2/h3-4,7-10,20H,5-6H2,1-2H3,(H,19,21)
InChIKeyBXSAUOAXMZLPIC-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.16
Rot. Bonds6

About 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109227744) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109227744
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H18ClN3O2/c1-11-7-13(17)3-4-15(11)20-14-8-12(9-18-10-14)16(21)19-5-6-22-2/h3-4,7-10,20H,5-6H2,1-2H3,(H,19,21)
InChIKeyBXSAUOAXMZLPIC-UHFFFAOYSA-N
XLogP3.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109241131
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223277
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109234618

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109227744) is 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1cncc(Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is BXSAUOAXMZLPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-7-13(17)3-4-15(11)20-14-8-12(9-18-10-14)16(21)19-5-6-22-2/h3-4,7-10,20H,5-6H2,1-2H3,(H,19,21).
What are the key properties of 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).