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

C20H27N3O — CID 109194843

IUPAC5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C20H27N3O/c1-2-3-7-14-21-18-12-13-19(23-16-18)20(24)22-15-8-11-17-9-5-4-6-10-17/h4-6,9-10,12-13,16,21H,2-3,7-8,11,14-15H2,1H3,(H,22,24)
InChIKeyDAWVSMSSCRZUML-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.05
Rot. Bonds10

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

5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109194843) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109194843
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C20H27N3O/c1-2-3-7-14-21-18-12-13-19(23-16-18)20(24)22-15-8-11-17-9-5-4-6-10-17/h4-6,9-10,12-13,16,21H,2-3,7-8,11,14-15H2,1H3,(H,22,24)
InChIKeyDAWVSMSSCRZUML-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.05
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-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109190273
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646

Frequently Asked Questions

What is the IUPAC name of 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109194843) is 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)NCCCc2ccccc2)nc1.
What is the InChIKey of 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is DAWVSMSSCRZUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-3-7-14-21-18-12-13-19(23-16-18)20(24)22-15-8-11-17-9-5-4-6-10-17/h4-6,9-10,12-13,16,21H,2-3,7-8,11,14-15H2,1H3,(H,22,24).
What are the key properties of 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109194843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).