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

C18H23N3O2 — CID 109167158

IUPAC2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCc2ccc(C)cc2)ccn1
InChIInChI=1S/C18H23N3O2/c1-14-4-6-15(7-5-14)13-21-18(22)16-8-10-20-17(12-16)19-9-3-11-23-2/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyODFKBHBEYDWCPM-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.77
Rot. Bonds8

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

2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109167158) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109167158
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCc2ccc(C)cc2)ccn1
InChIInChI=1S/C18H23N3O2/c1-14-4-6-15(7-5-14)13-21-18(22)16-8-10-20-17(12-16)19-9-3-11-23-2/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyODFKBHBEYDWCPM-UHFFFAOYSA-N
XLogP2.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.77
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-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
2-(3-methoxypropylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 109167185
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169974
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
2-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109167318
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 109167158) is 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is COCCCNc1cc(C(=O)NCc2ccc(C)cc2)ccn1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is ODFKBHBEYDWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-4-6-15(7-5-14)13-21-18(22)16-8-10-20-17(12-16)19-9-3-11-23-2/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109167158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).