methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate

C20H20N4O3 — CID 99787483

IUPACmethyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate
SMILESCOC(=O)C[C@@](C)(NC(=O)c1ccc(-n2cccn2)cc1)c1ccncc1
InChIInChI=1S/C20H20N4O3/c1-20(14-18(25)27-2,16-8-11-21-12-9-16)23-19(26)15-4-6-17(7-5-15)24-13-3-10-22-24/h3-13H,14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyRXMDEUSJOZEAQP-HXUWFJFHSA-N
MW364.41 g/mol
LogP2.48
Rot. Bonds6

About methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate

methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate (PubChem CID 99787483) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate
PubChem CID99787483
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Namemethyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate
SMILESCOC(=O)C[C@@](C)(NC(=O)c1ccc(-n2cccn2)cc1)c1ccncc1
InChIInChI=1S/C20H20N4O3/c1-20(14-18(25)27-2,16-8-11-21-12-9-16)23-19(26)15-4-6-17(7-5-15)24-13-3-10-22-24/h3-13H,14H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyRXMDEUSJOZEAQP-HXUWFJFHSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[(4-pyrazol-1-ylbenzoyl)amino]butanoic acid
CID 64671459
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
methyl (3R)-3-pyridin-4-yl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)butanoate
CID 124619280
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
methyl (3S)-3-(4-fluorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]butanoate
CID 99793479
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
N-aminohydroxylamine;ethyl 4-pyrazol-1-ylbenzoate;4-pyrazol-1-ylbenzohydrazide
CID 157086437
methyl (3S)-3-amino-3-pyridin-4-ylbutanoate
CID 97049448
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate?
The IUPAC name of methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate (CID 99787483) is methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate.
What is the SMILES notation for methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate?
The canonical SMILES for methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate is COC(=O)C[C@@](C)(NC(=O)c1ccc(-n2cccn2)cc1)c1ccncc1.
What is the InChIKey of methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate?
The InChIKey is RXMDEUSJOZEAQP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(14-18(25)27-2,16-8-11-21-12-9-16)23-19(26)15-4-6-17(7-5-15)24-13-3-10-22-24/h3-13H,14H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate?
methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate has a molecular weight of 364.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(4-pyrazol-1-ylbenzoyl)amino]-3-pyridin-4-ylbutanoate is sourced from PubChem (CID 99787483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).