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

C15H21N5O — CID 104640721

IUPAC5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCCCCn2ccnc2)nc1
InChIInChI=1S/C15H21N5O/c1-2-17-13-5-6-14(19-11-13)15(21)18-7-3-4-9-20-10-8-16-12-20/h5-6,8,10-12,17H,2-4,7,9H2,1H3,(H,18,21)
InChIKeyLNLDBVSMRAFTCZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.92
Rot. Bonds8

About 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide

5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (PubChem CID 104640721) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
PubChem CID104640721
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCCCCn2ccnc2)nc1
InChIInChI=1S/C15H21N5O/c1-2-17-13-5-6-14(19-11-13)15(21)18-7-3-4-9-20-10-8-16-12-20/h5-6,8,10-12,17H,2-4,7,9H2,1H3,(H,18,21)
InChIKeyLNLDBVSMRAFTCZ-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

4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyrazine-2-carboxamide
CID 107375001
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyrazine-2-carboxamide
CID 107374403
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
5-carbamothioyl-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 63724768
5-(ethylamino)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 104641912
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide (CID 104640721) is 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is CCNc1ccc(C(=O)NCCCCn2ccnc2)nc1.
What is the InChIKey of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
The InChIKey is LNLDBVSMRAFTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-17-13-5-6-14(19-11-13)15(21)18-7-3-4-9-20-10-8-16-12-20/h5-6,8,10-12,17H,2-4,7,9H2,1H3,(H,18,21).
What are the key properties of 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide?
5-(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 5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 104640721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).