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

C16H18ClN3O2 — CID 109183935

IUPAC5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O2/c1-11-3-4-12(9-14(11)17)20-13-5-6-15(19-10-13)16(21)18-7-8-22-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,18,21)
InChIKeyIQXSRWQXIZQQPO-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.16
Rot. Bonds6

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

5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109183935) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109183935
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C)c(Cl)c2)cn1
InChIInChI=1S/C16H18ClN3O2/c1-11-3-4-12(9-14(11)17)20-13-5-6-15(19-10-13)16(21)18-7-8-22-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,18,21)
InChIKeyIQXSRWQXIZQQPO-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

N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183921
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183964
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
5-(2-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183927

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109183935) is 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1ccc(Nc2ccc(C)c(Cl)c2)cn1.
What is the InChIKey of 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is IQXSRWQXIZQQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-3-4-12(9-14(11)17)20-13-5-6-15(19-10-13)16(21)18-7-8-22-2/h3-6,9-10,20H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-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-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).