3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid

C16H20N4O3 — CID 120524167

IUPAC3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)CC(C)C(=O)O)cn2)n1
InChIInChI=1S/C16H20N4O3/c1-10(16(22)23)9-19(4)15(21)13-5-6-14(17-8-13)20-12(3)7-11(2)18-20/h5-8,10H,9H2,1-4H3,(H,22,23)
InChIKeyKHQAWYQUZXBNQJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.68
Rot. Bonds5

About 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid

3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 120524167) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID120524167
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N(C)CC(C)C(=O)O)cn2)n1
InChIInChI=1S/C16H20N4O3/c1-10(16(22)23)9-19(4)15(21)13-5-6-14(17-8-13)20-12(3)7-11(2)18-20/h5-8,10H,9H2,1-4H3,(H,22,23)
InChIKeyKHQAWYQUZXBNQJ-UHFFFAOYSA-N
XLogP1.68
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704026
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
[1-(benzylamino)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46459431
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
(2-oxo-2-propan-2-yloxyethyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704824
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110090881
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428022
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid
CID 122075538
butyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703799

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid (CID 120524167) is 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid is Cc1cc(C)n(-c2ccc(C(=O)N(C)CC(C)C(=O)O)cn2)n1.
What is the InChIKey of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is KHQAWYQUZXBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(16(22)23)9-19(4)15(21)13-5-6-14(17-8-13)20-12(3)7-11(2)18-20/h5-8,10H,9H2,1-4H3,(H,22,23).
What are the key properties of 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid?
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 316.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120524167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).