2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid

C17H22N4O4 — CID 120697503

IUPAC2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc(=O)[nH]1
InChIInChI=1S/C17H22N4O4/c1-10(2)5-12-6-11(7-14(22)19-12)15(23)20-13-8-18-21(9-13)17(3,4)16(24)25/h6-10H,5H2,1-4H3,(H,19,22)(H,20,23)(H,24,25)
InChIKeyZZTVACSGTBPPMK-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.84
Rot. Bonds6

About 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid (PubChem CID 120697503) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid
PubChem CID120697503
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid
SMILESCC(C)Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc(=O)[nH]1
InChIInChI=1S/C17H22N4O4/c1-10(2)5-12-6-11(7-14(22)19-12)15(23)20-13-8-18-21(9-13)17(3,4)16(24)25/h6-10H,5H2,1-4H3,(H,19,22)(H,20,23)(H,24,25)
InChIKeyZZTVACSGTBPPMK-UHFFFAOYSA-N
XLogP1.84
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
2-methyl-2-[4-[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696927
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696595
2-methyl-2-[4-[[2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120696748
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625
2-[4-[(5-ethyl-1H-pyrazole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697814
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
CID 110000936
2-methyl-2-[4-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120697124
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-[4-[(5-bromothiophene-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid (CID 120697503) is 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid is CC(C)Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid?
The InChIKey is ZZTVACSGTBPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(2)5-12-6-11(7-14(22)19-12)15(23)20-13-8-18-21(9-13)17(3,4)16(24)25/h6-10H,5H2,1-4H3,(H,19,22)(H,20,23)(H,24,25).
What are the key properties of 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid has a molecular weight of 346.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 120697503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).