N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide

C18H16N4O3 — CID 134002047

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N4O3/c1-12(13-2-4-15-16(8-13)25-11-24-15)21-18(23)14-3-5-17(20-9-14)22-7-6-19-10-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyOVCXBLGUZAJUAV-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.49
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 134002047) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID134002047
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N4O3/c1-12(13-2-4-15-16(8-13)25-11-24-15)21-18(23)14-3-5-17(20-9-14)22-7-6-19-10-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyOVCXBLGUZAJUAV-UHFFFAOYSA-N
XLogP2.49
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 51931107
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
N-[1-(1,3-benzodioxol-5-yl)ethyl]imidazole-1-carboxamide
CID 81257632
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 51323882
6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 51725269
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001794
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 69348436
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 60555147

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 134002047) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide is CC(NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is OVCXBLGUZAJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(13-2-4-15-16(8-13)25-11-24-15)21-18(23)14-3-5-17(20-9-14)22-7-6-19-10-22/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 134002047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).