4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide

C23H24N4O2 — CID 109216656

IUPAC4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(C(=O)NCCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-17(28)26-19-9-11-20(12-10-19)27-21-13-15-24-22(16-21)23(29)25-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyYPZKCLNTRGGGPS-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.15
Rot. Bonds8

About 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide

4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109216656) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109216656
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(C(=O)NCCCc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-17(28)26-19-9-11-20(12-10-19)27-21-13-15-24-22(16-21)23(29)25-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyYPZKCLNTRGGGPS-UHFFFAOYSA-N
XLogP4.15
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
6-(4-acetamidoanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353616
4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213610
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216673
methyl 2-[[2-(3-phenylpropylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109216657
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109216656) is 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide is CC(=O)Nc1ccc(Nc2ccnc(C(=O)NCCCc3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is YPZKCLNTRGGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17(28)26-19-9-11-20(12-10-19)27-21-13-15-24-22(16-21)23(29)25-14-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109216656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).