N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide

C17H23N5O2 — CID 51090160

IUPACN-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H23N5O2/c1-3-21(4-2)16(23)6-5-8-20-17(24)14-7-9-19-15(12-14)22-11-10-18-13-22/h7,9-13H,3-6,8H2,1-2H3,(H,20,24)
InChIKeyFERXCAHWFOFZSQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.65
Rot. Bonds8

About N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 51090160) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID51090160
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C17H23N5O2/c1-3-21(4-2)16(23)6-5-8-20-17(24)14-7-9-19-15(12-14)22-11-10-18-13-22/h7,9-13H,3-6,8H2,1-2H3,(H,20,24)
InChIKeyFERXCAHWFOFZSQ-UHFFFAOYSA-N
XLogP1.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-imidazol-1-yl-N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 87011058
N-[4-(diethylamino)-4-oxobutyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 60513536
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
2-imidazol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 75479337
2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide
CID 94180241
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734
2-imidazol-1-yl-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 51089952
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 51090160) is N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide is CCN(CC)C(=O)CCCNC(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is FERXCAHWFOFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-21(4-2)16(23)6-5-8-20-17(24)14-7-9-19-15(12-14)22-11-10-18-13-22/h7,9-13H,3-6,8H2,1-2H3,(H,20,24).
What are the key properties of N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-4-oxobutyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 51090160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).