6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide

C16H18ClN3O2 — CID 126473970

IUPAC6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(Cl)c2)nc1NCCOC
InChIInChI=1S/C16H18ClN3O2/c1-18-16(21)13-6-7-14(11-4-3-5-12(17)10-11)20-15(13)19-8-9-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVHTZQSMZHDIPFT-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.82
Rot. Bonds6

About 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide

6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide (PubChem CID 126473970) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide
PubChem CID126473970
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cccc(Cl)c2)nc1NCCOC
InChIInChI=1S/C16H18ClN3O2/c1-18-16(21)13-6-7-14(11-4-3-5-12(17)10-11)20-15(13)19-8-9-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVHTZQSMZHDIPFT-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide (CID 126473970) is 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2cccc(Cl)c2)nc1NCCOC.
What is the InChIKey of 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is VHTZQSMZHDIPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-18-16(21)13-6-7-14(11-4-3-5-12(17)10-11)20-15(13)19-8-9-22-2/h3-7,10H,8-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide?
6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 126473970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).