ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate

C26H31N5O4 — CID 66927854

IUPACethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(NC(=O)c3cccnc3)cc2-c2ccnn2C)CC1
InChIInChI=1S/C26H31N5O4/c1-3-34-26(33)19-9-13-31(14-10-19)15-16-35-24-7-6-21(17-22(24)23-8-12-28-30(23)2)29-25(32)20-5-4-11-27-18-20/h4-8,11-12,17-19H,3,9-10,13-16H2,1-2H3,(H,29,32)
InChIKeyQFSNWFQXABQRQG-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.39
Rot. Bonds9

About ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate (PubChem CID 66927854) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate
PubChem CID66927854
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Nameethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(NC(=O)c3cccnc3)cc2-c2ccnn2C)CC1
InChIInChI=1S/C26H31N5O4/c1-3-34-26(33)19-9-13-31(14-10-19)15-16-35-24-7-6-21(17-22(24)23-8-12-28-30(23)2)29-25(32)20-5-4-11-27-18-20/h4-8,11-12,17-19H,3,9-10,13-16H2,1-2H3,(H,29,32)
InChIKeyQFSNWFQXABQRQG-UHFFFAOYSA-N
XLogP3.39
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[2-[4-(3-methylbutanoylamino)-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperidine-4-carboxylate
CID 66927900
4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methylbenzamide
CID 66928778
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 66927982
N-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 66928204
N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 46833683
3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)aniline;N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 160777885
ethyl 1-[(pyridine-3-carbonylamino)methyl]piperidine-4-carboxylate
CID 3148499
4-chloro-3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928368
N-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-N-(trifluoromethyl)pyridine-3-carboxamide
CID 66927740
3-fluoro-N-[4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
CID 66928950

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate (CID 66927854) is ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOc2ccc(NC(=O)c3cccnc3)cc2-c2ccnn2C)CC1.
What is the InChIKey of ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate?
The InChIKey is QFSNWFQXABQRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-3-34-26(33)19-9-13-31(14-10-19)15-16-35-24-7-6-21(17-22(24)23-8-12-28-30(23)2)29-25(32)20-5-4-11-27-18-20/h4-8,11-12,17-19H,3,9-10,13-16H2,1-2H3,(H,29,32).
What are the key properties of ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate has a molecular weight of 477.57 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(2-methylpyrazol-3-yl)-4-(pyridine-3-carbonylamino)phenoxy]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 66927854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).