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

C20H20N4O4 — CID 4070511

IUPAC[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESCc1c(NC(=O)C(C)OC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H20N4O4/c1-13-17(19(26)24(23(13)3)16-9-5-4-6-10-16)22-18(25)14(2)28-20(27)15-8-7-11-21-12-15/h4-12,14H,1-3H3,(H,22,25)
InChIKeyOIIFSGLBKXZRFJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.06
Rot. Bonds5

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

[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate (PubChem CID 4070511) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
PubChem CID4070511
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESCc1c(NC(=O)C(C)OC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H20N4O4/c1-13-17(19(26)24(23(13)3)16-9-5-4-6-10-16)22-18(25)14(2)28-20(27)15-8-7-11-21-12-15/h4-12,14H,1-3H3,(H,22,25)
InChIKeyOIIFSGLBKXZRFJ-UHFFFAOYSA-N
XLogP2.06
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
[2-(2,5-Dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2429249
[1-(Tert-butylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 3227640
Nicotinic acid (4-ethoxy-phenylcarbamoyl)-methyl ester
CID 649387
Nicotinic acid (3-chloro-phenylcarbamoyl)-methyl ester
CID 653526
Nicotinic acid (4-fluoro-phenylcarbamoyl)-methyl ester
CID 656057
{[4-(Morpholin-4-yl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2417505
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9389751
1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]ethyl 2-chloropyridine-3-carboxylate
CID 16252484
[N-(2,6-dimethylphenyl)carbamoyl]methyl pyridine-3-carboxylate
CID 1088634
Nicotinic acid (2-isopropyl-phenylcarbamoyl)-methyl ester
CID 1088668
[N-(2,4-dimethylphenyl)carbamoyl]methyl pyridine-3-carboxylate
CID 1088724

Frequently Asked Questions

What is the IUPAC name of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
The IUPAC name of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate (CID 4070511) is [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate.
What is the SMILES notation for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
The canonical SMILES for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate is Cc1c(NC(=O)C(C)OC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
The InChIKey is OIIFSGLBKXZRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-17(19(26)24(23(13)3)16-9-5-4-6-10-16)22-18(25)14(2)28-20(27)15-8-7-11-21-12-15/h4-12,14H,1-3H3,(H,22,25).
What are the key properties of [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate is sourced from PubChem (CID 4070511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).