2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C14H16N4O4 — CID 138032511

IUPAC2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1
InChIInChI=1S/C14H16N4O4/c1-14(2,13(20)21)18-7-6-10(17-18)16-12(19)9-4-5-11(22-3)15-8-9/h4-8H,1-3H3,(H,20,21)(H,16,17,19)
InChIKeySVNXVTRFOMAJFH-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.36
Rot. Bonds5

About 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 138032511) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID138032511
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1
InChIInChI=1S/C14H16N4O4/c1-14(2,13(20)21)18-7-6-10(17-18)16-12(19)9-4-5-11(22-3)15-8-9/h4-8H,1-3H3,(H,20,21)(H,16,17,19)
InChIKeySVNXVTRFOMAJFH-UHFFFAOYSA-N
XLogP1.36
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 138033282
2-methyl-2-[3-(pyrimidine-5-carbonylamino)pyrazol-1-yl]propanoic acid
CID 154740869
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 43358856
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 120524735
2-methyl-2-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697645
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 138032511) is 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is COc1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)cn1.
What is the InChIKey of 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is SVNXVTRFOMAJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-14(2,13(20)21)18-7-6-10(17-18)16-12(19)9-4-5-11(22-3)15-8-9/h4-8H,1-3H3,(H,20,21)(H,16,17,19).
What are the key properties of 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 304.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 138032511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).