6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide

C15H21N5O — CID 62240015

IUPAC6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCCn2ccnc2)n1
InChIInChI=1S/C15H21N5O/c1-2-17-14-7-5-6-13(19-14)15(21)18-8-3-4-10-20-11-9-16-12-20/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,17,19)(H,18,21)
InChIKeyCNYFSLXFEZQJCA-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.92
Rot. Bonds8

About 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide

6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (PubChem CID 62240015) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
PubChem CID62240015
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESCCNc1cccc(C(=O)NCCCCn2ccnc2)n1
InChIInChI=1S/C15H21N5O/c1-2-17-14-7-5-6-13(19-14)15(21)18-8-3-4-10-20-11-9-16-12-20/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,17,19)(H,18,21)
InChIKeyCNYFSLXFEZQJCA-UHFFFAOYSA-N
XLogP1.92
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
CID 107375001
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
CID 107374403
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
N-(4-amino-4-oxobutyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62239477
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 62990248
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (CID 62240015) is 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is CCNc1cccc(C(=O)NCCCCn2ccnc2)n1.
What is the InChIKey of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The InChIKey is CNYFSLXFEZQJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-17-14-7-5-6-13(19-14)15(21)18-8-3-4-10-20-11-9-16-12-20/h5-7,9,11-12H,2-4,8,10H2,1H3,(H,17,19)(H,18,21).
What are the key properties of 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 62240015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).