ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate

C20H19ClN4O4 — CID 162731665

IUPACethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1O
InChIInChI=1S/C20H19ClN4O4/c1-3-29-17(26)10-23-20(28)18-19(27)12(2)16(9-22-18)13-8-24-25(11-13)15-6-4-14(21)5-7-15/h4-9,11,27H,3,10H2,1-2H3,(H,23,28)
InChIKeySAWANEKYKGSDDL-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.89
Rot. Bonds6

About ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate

ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate (PubChem CID 162731665) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
PubChem CID162731665
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC Nameethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1O
InChIInChI=1S/C20H19ClN4O4/c1-3-29-17(26)10-23-20(28)18-19(27)12(2)16(9-22-18)13-8-24-25(11-13)15-6-4-14(21)5-7-15/h4-9,11,27H,3,10H2,1-2H3,(H,23,28)
InChIKeySAWANEKYKGSDDL-UHFFFAOYSA-N
XLogP2.89
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[4-methyl-3-phenylmethoxy-5-(1-phenylpyrazol-4-yl)pyridine-2-carbonyl]amino]acetate
CID 162731713
ethyl 2-[[5-(3-fluorophenyl)-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate
CID 162731611
2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 175581678
ethyl 2-[(3-hydroxy-4-methyl-5-quinolin-6-ylpyridine-2-carbonyl)amino]acetate
CID 162731512
ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 162731487
3-[1-(4-chlorophenyl)pyrazol-4-yl]-4-methylbenzoic acid
CID 118409218
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
ethyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]cyclohex-3-ene-1-carboxylate
CID 165399673
formic acid;2-[[3-hydroxy-4-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonyl]amino]acetic acid
CID 175905624
ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate
CID 44782870
ethyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]cyclohexane-1-carboxylate
CID 165399811
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 3610947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate (CID 162731665) is ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1ncc(-c2cnn(-c3ccc(Cl)cc3)c2)c(C)c1O.
What is the InChIKey of ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
The InChIKey is SAWANEKYKGSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-3-29-17(26)10-23-20(28)18-19(27)12(2)16(9-22-18)13-8-24-25(11-13)15-6-4-14(21)5-7-15/h4-9,11,27H,3,10H2,1-2H3,(H,23,28).
What are the key properties of ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate?
ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate has a molecular weight of 414.85 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[1-(4-chlorophenyl)pyrazol-4-yl]-3-hydroxy-4-methylpyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 162731665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).