N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide

C18H16N4O3 — CID 134001794

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H16N4O3/c23-18(14-2-4-17(20-11-14)22-6-5-19-12-22)21-10-13-1-3-15-16(9-13)25-8-7-24-15/h1-6,9,11-12H,7-8,10H2,(H,21,23)
InChIKeyUNPIZSXWKLDXKF-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.97
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 134001794) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID134001794
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H16N4O3/c23-18(14-2-4-17(20-11-14)22-6-5-19-12-22)21-10-13-1-3-15-16(9-13)25-8-7-24-15/h1-6,9,11-12H,7-8,10H2,(H,21,23)
InChIKeyUNPIZSXWKLDXKF-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]benzamide
CID 55677946
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
6-imidazol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24666420
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134002047
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63859223
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51085856
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 56712088

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 134001794) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide is O=C(NCc1ccc2c(c1)OCCO2)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is UNPIZSXWKLDXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-18(14-2-4-17(20-11-14)22-6-5-19-12-22)21-10-13-1-3-15-16(9-13)25-8-7-24-15/h1-6,9,11-12H,7-8,10H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 134001794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).