N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide

C19H18N4O3 — CID 51931107

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N4O3/c1-13(14-2-4-16-17(10-14)26-9-8-25-16)22-19(24)15-3-5-18(21-11-15)23-7-6-20-12-23/h2-7,10-13H,8-9H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyCJLHMSNMUBXPPB-CYBMUJFWSA-N
MW350.38 g/mol
LogP2.53
Rot. Bonds4

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 51931107) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID51931107
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N4O3/c1-13(14-2-4-16-17(10-14)26-9-8-25-16)22-19(24)15-3-5-18(21-11-15)23-7-6-20-12-23/h2-7,10-13H,8-9H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyCJLHMSNMUBXPPB-CYBMUJFWSA-N
XLogP2.53
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134002047
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001794
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
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
6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 51725269
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51296666
3,4-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 55360682
4-acetamido-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 27839947
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzamide
CID 27839938

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 51931107) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is CJLHMSNMUBXPPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(14-2-4-16-17(10-14)26-9-8-25-16)22-19(24)15-3-5-18(21-11-15)23-7-6-20-12-23/h2-7,10-13H,8-9H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 51931107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).