N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide

C23H25N3O — CID 109239101

IUPACN-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NCCCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H25N3O/c1-17-10-11-22(18(2)13-17)26-23(27)20-14-21(16-24-15-20)25-12-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-16,25H,6,9,12H2,1-2H3,(H,26,27)
InChIKeyGFESFCIZZKDFLN-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.00
Rot. Bonds7

About N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide

N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109239101) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109239101
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NCCCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H25N3O/c1-17-10-11-22(18(2)13-17)26-23(27)20-14-21(16-24-15-20)25-12-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-16,25H,6,9,12H2,1-2H3,(H,26,27)
InChIKeyGFESFCIZZKDFLN-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236799
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083
methyl 4-[[5-(3-phenylpropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109239144
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144
N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236524
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
N-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
N-(2,4-dimethylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234506
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109239101) is N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(NCCCc3ccccc3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is GFESFCIZZKDFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-10-11-22(18(2)13-17)26-23(27)20-14-21(16-24-15-20)25-12-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,13-16,25H,6,9,12H2,1-2H3,(H,26,27).
What are the key properties of N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).