2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

C21H19N5O4 — CID 69207331

IUPAC2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cn1
InChIInChI=1S/C21H19N5O4/c1-21(2,28)18-8-5-13(11-23-18)12-24-19(27)15-4-3-9-22-20(15)29-14-6-7-16-17(10-14)26-30-25-16/h3-11,28H,12H2,1-2H3,(H,24,27)
InChIKeyFRTGEFKYEWMZQB-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.96
Rot. Bonds6

About 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 69207331) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID69207331
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cn1
InChIInChI=1S/C21H19N5O4/c1-21(2,28)18-8-5-13(11-23-18)12-24-19(27)15-4-3-9-22-20(15)29-14-6-7-16-17(10-14)26-30-25-16/h3-11,28H,12H2,1-2H3,(H,24,27)
InChIKeyFRTGEFKYEWMZQB-UHFFFAOYSA-N
XLogP2.96
TPSA123.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 10296916
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]methyl]pyridine-3-carboxamide
CID 10114387
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
CID 10180834
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612119
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612035
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-methyl-3-(pyridin-3-ylmethylamino)benzamide
CID 50979648

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 69207331) is 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cn1.
What is the InChIKey of 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is FRTGEFKYEWMZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-21(2,28)18-8-5-13(11-23-18)12-24-19(27)15-4-3-9-22-20(15)29-14-6-7-16-17(10-14)26-30-25-16/h3-11,28H,12H2,1-2H3,(H,24,27).
What are the key properties of 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 69207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).