2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid

C18H18N4O5 — CID 175581678

IUPAC2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)O)c1O.NCC(=O)O
InChIInChI=1S/C16H13N3O3.C2H5NO2/c1-10-13(8-17-14(15(10)20)16(21)22)11-7-18-19(9-11)12-5-3-2-4-6-12;3-1-2(4)5/h2-9,20H,1H3,(H,21,22);1,3H2,(H,4,5)
InChIKeyHZAVVEUWUHSUFZ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.68
Rot. Bonds4

About 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid

2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 175581678) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
PubChem CID175581678
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)O)c1O.NCC(=O)O
InChIInChI=1S/C16H13N3O3.C2H5NO2/c1-10-13(8-17-14(15(10)20)16(21)22)11-7-18-19(9-11)12-5-3-2-4-6-12;3-1-2(4)5/h2-9,20H,1H3,(H,21,22);1,3H2,(H,4,5)
InChIKeyHZAVVEUWUHSUFZ-UHFFFAOYSA-N
XLogP1.68
TPSA151.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
CID 162731665
ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate
CID 162731713
3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
CID 162731592
5-fluoro-2-(1-phenylpyrazol-4-yl)benzoic acid
CID 61026437
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid
CID 62251348
3-[4-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 11558186
ethyl 3-(1-phenylpyrazol-4-yl)-1H-1,2,4-triazole-5-carboxylate
CID 63381269
ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379364
2-aminoacetic acid;1,1'-biphenyl
CID 22134128
2-methoxy-6-methyl-4-(1-phenylpyrazol-4-yl)phenol
CID 162125121

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid (CID 175581678) is 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid is Cc1c(-c2cnn(-c3ccccc3)c2)cnc(C(=O)O)c1O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is HZAVVEUWUHSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3.C2H5NO2/c1-10-13(8-17-14(15(10)20)16(21)22)11-7-18-19(9-11)12-5-3-2-4-6-12;3-1-2(4)5/h2-9,20H,1H3,(H,21,22);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid?
2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 370.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 175581678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).