3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide

C18H20ClN3O3 — CID 109103459

IUPAC3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O3/c1-25-8-7-22-18(24)15-10-14(11-20-12-15)17(23)21-6-5-13-3-2-4-16(19)9-13/h2-4,9-12H,5-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyKYOCQSPCMFQSOJ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.08
Rot. Bonds8

About 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide

3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103459) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
PubChem CID109103459
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O3/c1-25-8-7-22-18(24)15-10-14(11-20-12-15)17(23)21-6-5-13-3-2-4-16(19)9-13/h2-4,9-12H,5-8H2,1H3,(H,21,23)(H,22,24)
InChIKeyKYOCQSPCMFQSOJ-UHFFFAOYSA-N
XLogP2.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.08
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

3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
N-[2-(3-chlorophenyl)ethyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103786
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109241131
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide (CID 109103459) is 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide is COCCNC(=O)c1cncc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
The InChIKey is KYOCQSPCMFQSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-25-8-7-22-18(24)15-10-14(11-20-12-15)17(23)21-6-5-13-3-2-4-16(19)9-13/h2-4,9-12H,5-8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide?
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).