6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide

C15H24N4O — CID 62990248

IUPAC6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCN2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-2-16-14-8-5-7-13(18-14)15(20)17-9-6-12-19-10-3-4-11-19/h5,7-8H,2-4,6,9-12H2,1H3,(H,16,18)(H,17,20)
InChIKeyXBDIOYNOMJWYOC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds7

About 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide

6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 62990248) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
PubChem CID62990248
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCN2CCCC2)n1
InChIInChI=1S/C15H24N4O/c1-2-16-14-8-5-7-13(18-14)15(20)17-9-6-12-19-10-3-4-11-19/h5,7-8H,2-4,6,9-12H2,1H3,(H,16,18)(H,17,20)
InChIKeyXBDIOYNOMJWYOC-UHFFFAOYSA-N
XLogP1.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide (CID 62990248) is 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide is CCNc1cccc(C(=O)NCCCN2CCCC2)n1.
What is the InChIKey of 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The InChIKey is XBDIOYNOMJWYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-16-14-8-5-7-13(18-14)15(20)17-9-6-12-19-10-3-4-11-19/h5,7-8H,2-4,6,9-12H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62990248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).