methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate

C20H20N4O3 — CID 55532033

IUPACmethyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(-n2cccn2)nc1)c1ccc(C)cc1
InChIInChI=1S/C20H20N4O3/c1-14-4-6-15(7-5-14)17(12-19(25)27-2)23-20(26)16-8-9-18(21-13-16)24-11-3-10-22-24/h3-11,13,17H,12H2,1-2H3,(H,23,26)
InChIKeyLTVUVTHDBQMSAE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.61
Rot. Bonds6

About methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate

methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate (PubChem CID 55532033) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate
PubChem CID55532033
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Namemethyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(-n2cccn2)nc1)c1ccc(C)cc1
InChIInChI=1S/C20H20N4O3/c1-14-4-6-15(7-5-14)17(12-19(25)27-2)23-20(26)16-8-9-18(21-13-16)24-11-3-10-22-24/h3-11,13,17H,12H2,1-2H3,(H,23,26)
InChIKeyLTVUVTHDBQMSAE-UHFFFAOYSA-N
XLogP2.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate 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

methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate
CID 30043103
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
N-[2-(2-fluorophenoxy)-1-phenylethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55798587
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
methyl 3-[[1-(4-bromophenyl)pyrazole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 55775774
N-[1-(3,4-diethoxyphenyl)ethyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55523156
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 24516785
methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 31861915
methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
CID 42937719

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate (CID 55532033) is methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1ccc(-n2cccn2)nc1)c1ccc(C)cc1.
What is the InChIKey of methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate?
The InChIKey is LTVUVTHDBQMSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-4-6-15(7-5-14)17(12-19(25)27-2)23-20(26)16-8-9-18(21-13-16)24-11-3-10-22-24/h3-11,13,17H,12H2,1-2H3,(H,23,26).
What are the key properties of methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate?
methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate has a molecular weight of 364.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 55532033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).