6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

C22H23N3O — CID 109160841

IUPAC6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O/c1-17-9-12-20(13-10-17)25-21-14-11-19(16-24-21)22(26)23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYTEWEXLBFNTFII-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.50
Rot. Bonds7

About 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 109160841) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID109160841
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O/c1-17-9-12-20(13-10-17)25-21-14-11-19(16-24-21)22(26)23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYTEWEXLBFNTFII-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.50
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

6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160854
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109158821
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 109160841) is 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCCc3ccccc3)cn2)cc1.
What is the InChIKey of 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is YTEWEXLBFNTFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-9-12-20(13-10-17)25-21-14-11-19(16-24-21)22(26)23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109160841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).