[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C19H18N4O5 — CID 2363535

IUPAC[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1c(NC(=O)COC(=O)c2ccc[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18N4O5/c1-12-16(18(26)23(22(12)2)13-7-4-3-5-8-13)21-15(24)11-28-19(27)14-9-6-10-20-17(14)25/h3-10H,11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyYPVVQFFKBWEEJH-UHFFFAOYSA-N
MW382.38 g/mol
LogP0.97
Rot. Bonds5

About [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2363535) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2363535
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Name[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESCc1c(NC(=O)COC(=O)c2ccc[nH]c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18N4O5/c1-12-16(18(26)23(22(12)2)13-7-4-3-5-8-13)21-15(24)11-28-19(27)14-9-6-10-20-17(14)25/h3-10H,11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyYPVVQFFKBWEEJH-UHFFFAOYSA-N
XLogP0.97
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2397406
(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100676
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 6213302
ethyl 4-(cyclohexylamino)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 680303
ethyl 5-oxo-1-phenyl-4-(propylamino)-2H-pyrrole-3-carboxylate
CID 44204272
Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, propyl ester
CID 44140
Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, 2-methylpropyl ester
CID 44143
2-Propenoic acid, 3-((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-2-(((4-methylphenyl)amino)carbonyl)-, ethyl ester, (E)-
CID 3075177
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 5793406
ethyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enoate
CID 761283
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2436969
Ethyl 1-(4-fluorophenyl)-2-methyl-3-(morpholin-4-ylmethyl)-5-oxopyrazole-4-carboxylate
CID 66766848

Frequently Asked Questions

What is the IUPAC name of [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2363535) is [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is Cc1c(NC(=O)COC(=O)c2ccc[nH]c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is YPVVQFFKBWEEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-12-16(18(26)23(22(12)2)13-7-4-3-5-8-13)21-15(24)11-28-19(27)14-9-6-10-20-17(14)25/h3-10H,11H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 382.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2363535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).