3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid

C19H20N4O3 — CID 135355443

IUPAC3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(NCCC(=O)O)cc1=O
InChIInChI=1S/C19H20N4O3/c1-22-13-16(17(9-18(22)24)20-8-7-19(25)26)15-10-21-23(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12-13,20H,7-8,11H2,1H3,(H,25,26)
InChIKeyPEINRKPDDQWDRM-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.18
Rot. Bonds7

About 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid

3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid (PubChem CID 135355443) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid
PubChem CID135355443
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid
SMILESCn1cc(-c2cnn(Cc3ccccc3)c2)c(NCCC(=O)O)cc1=O
InChIInChI=1S/C19H20N4O3/c1-22-13-16(17(9-18(22)24)20-8-7-19(25)26)15-10-21-23(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12-13,20H,7-8,11H2,1H3,(H,25,26)
InChIKeyPEINRKPDDQWDRM-UHFFFAOYSA-N
XLogP2.18
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid with MolForge

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Related Compounds

N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127
N-[(4-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168274944
1-Isopropyl-1H-pyrazole-4-carboxylic acid benzyl-cyclopentylcarbamoylmethyl-amide
CID 654451
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-6-phenyl-1H-pyridin-2-one
CID 90682469
4-[[1-(1-methylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682475
US10617680, Example 47
CID 135355225
US10617680, Example 41
CID 135355226
US10617680, Example 17
CID 135355230
US10617680, Example 14
CID 135355236
US10617680, Example 169
CID 135355254

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid (CID 135355443) is 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid is Cn1cc(-c2cnn(Cc3ccccc3)c2)c(NCCC(=O)O)cc1=O.
What is the InChIKey of 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid?
The InChIKey is PEINRKPDDQWDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-22-13-16(17(9-18(22)24)20-8-7-19(25)26)15-10-21-23(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12-13,20H,7-8,11H2,1H3,(H,25,26).
What are the key properties of 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid?
3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-4-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 135355443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).