5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide

C17H20ClN3O2 — CID 109228025

IUPAC5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O2/c1-23-8-2-7-20-17(22)14-9-16(12-19-11-14)21-10-13-3-5-15(18)6-4-13/h3-6,9,11-12,21H,2,7-8,10H2,1H3,(H,20,22)
InChIKeyXEYSZPJNQDMTRB-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.11
Rot. Bonds8

About 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109228025) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109228025
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN3O2/c1-23-8-2-7-20-17(22)14-9-16(12-19-11-14)21-10-13-3-5-15(18)6-4-13/h3-6,9,11-12,21H,2,7-8,10H2,1H3,(H,20,22)
InChIKeyXEYSZPJNQDMTRB-UHFFFAOYSA-N
XLogP3.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.11
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-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
methyl 4-[[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109234145
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109228025) is 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is XEYSZPJNQDMTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-23-8-2-7-20-17(22)14-9-16(12-19-11-14)21-10-13-3-5-15(18)6-4-13/h3-6,9,11-12,21H,2,7-8,10H2,1H3,(H,20,22).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).