3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C23H23N3O4 — CID 92882471

IUPAC3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccccc1Oc1ccc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)nn1
InChIInChI=1S/C23H23N3O4/c1-28-20-9-2-3-10-21(20)30-22-12-11-19(25-26-22)16-6-4-7-17(14-16)23(27)24-15-18-8-5-13-29-18/h2-4,6-7,9-12,14,18H,5,8,13,15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyXEPRNIXCLAIDOS-GOSISDBHSA-N
MW405.45 g/mol
LogP3.85
Rot. Bonds7

About 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 92882471) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID92882471
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccccc1Oc1ccc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)nn1
InChIInChI=1S/C23H23N3O4/c1-28-20-9-2-3-10-21(20)30-22-12-11-19(25-26-22)16-6-4-7-17(14-16)23(27)24-15-18-8-5-13-29-18/h2-4,6-7,9-12,14,18H,5,8,13,15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyXEPRNIXCLAIDOS-GOSISDBHSA-N
XLogP3.85
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
N-[[(2S)-oxolan-2-yl]methyl]-4-(6-phenoxypyridazin-3-yl)benzamide
CID 92882462
3-[6-(cyclopentylamino)pyridazin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125436416
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
N-[[(2S)-oxolan-2-yl]methyl]-3-(6-phenoxypyrimidin-4-yl)benzamide
CID 95053292
5-(2-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95756967
5-(2-methoxyphenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 75537750
3-[2-(aminomethyl)-3-methoxyphenoxy]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 154921066
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 92882471) is 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COc1ccccc1Oc1ccc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)nn1.
What is the InChIKey of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is XEPRNIXCLAIDOS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-20-9-2-3-10-21(20)30-22-12-11-19(25-26-22)16-6-4-7-17(14-16)23(27)24-15-18-8-5-13-29-18/h2-4,6-7,9-12,14,18H,5,8,13,15H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 92882471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).