N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide

C17H20ClN3O2 — CID 109167164

IUPACN-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H20ClN3O2/c1-23-10-2-8-19-16-11-14(7-9-20-16)17(22)21-12-13-3-5-15(18)6-4-13/h3-7,9,11H,2,8,10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKWKSRUCLPNPOHR-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.11
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide (PubChem CID 109167164) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
PubChem CID109167164
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H20ClN3O2/c1-23-10-2-8-19-16-11-14(7-9-20-16)17(22)21-12-13-3-5-15(18)6-4-13/h3-7,9,11H,2,8,10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyKWKSRUCLPNPOHR-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

2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167158
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 109167185
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide (CID 109167164) is N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide is COCCCNc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The InChIKey is KWKSRUCLPNPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-23-10-2-8-19-16-11-14(7-9-20-16)17(22)21-12-13-3-5-15(18)6-4-13/h3-7,9,11H,2,8,10,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-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 N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109167164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).