[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

C17H21N5O4 — CID 18140205

IUPAC[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(N3CCOCC3)nc2)n(C)n1
InChIInChI=1S/C17H21N5O4/c1-12-9-15(21(2)20-12)19-16(23)11-26-17(24)13-3-4-14(18-10-13)22-5-7-25-8-6-22/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,23)
InChIKeyCENITSSHCBQERT-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.76
Rot. Bonds5

About [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate

[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 18140205) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID18140205
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(N3CCOCC3)nc2)n(C)n1
InChIInChI=1S/C17H21N5O4/c1-12-9-15(21(2)20-12)19-16(23)11-26-17(24)13-3-4-14(18-10-13)22-5-7-25-8-6-22/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,23)
InChIKeyCENITSSHCBQERT-UHFFFAOYSA-N
XLogP0.76
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16581154
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CID 55998475
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704157
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428263
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140190
[2-(4-benzamidophenyl)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600768
[2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16603598
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 41163193
(4-acetamidophenyl) 6-morpholin-4-ylpyridine-3-carboxylate
CID 37325010
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522579
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
2-(dimethylamino)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 170895839

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 18140205) is [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is Cc1cc(NC(=O)COC(=O)c2ccc(N3CCOCC3)nc2)n(C)n1.
What is the InChIKey of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is CENITSSHCBQERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-12-9-15(21(2)20-12)19-16(23)11-26-17(24)13-3-4-14(18-10-13)22-5-7-25-8-6-22/h3-4,9-10H,5-8,11H2,1-2H3,(H,19,23).
What are the key properties of [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate?
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 18140205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).