5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide

C21H21N3O — CID 109194849

IUPAC5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Nc2ccccc2)cn1
InChIInChI=1S/C21H21N3O/c25-21(22-15-7-10-17-8-3-1-4-9-17)20-14-13-19(16-23-20)24-18-11-5-2-6-12-18/h1-6,8-9,11-14,16,24H,7,10,15H2,(H,22,25)
InChIKeyHQJVSMXFWHXTRV-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.19
Rot. Bonds7

About 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide

5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109194849) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109194849
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(Nc2ccccc2)cn1
InChIInChI=1S/C21H21N3O/c25-21(22-15-7-10-17-8-3-1-4-9-17)20-14-13-19(16-23-20)24-18-11-5-2-6-12-18/h1-6,8-9,11-14,16,24H,7,10,15H2,(H,22,25)
InChIKeyHQJVSMXFWHXTRV-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.19
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

5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194885
5-(2,4-difluoroanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194887
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109194849) is 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1ccc(Nc2ccccc2)cn1.
What is the InChIKey of 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is HQJVSMXFWHXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(22-15-7-10-17-8-3-1-4-9-17)20-14-13-19(16-23-20)24-18-11-5-2-6-12-18/h1-6,8-9,11-14,16,24H,7,10,15H2,(H,22,25).
What are the key properties of 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).