ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate

C19H19ClN2O4 — CID 162731487

IUPACethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)c(C2CC2)c1O
InChIInChI=1S/C19H19ClN2O4/c1-2-26-15(23)10-22-19(25)17-18(24)16(11-6-7-11)14(9-21-17)12-4-3-5-13(20)8-12/h3-5,8-9,11,24H,2,6-7,10H2,1H3,(H,22,25)
InChIKeyLICDOAWGRGRAKA-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.28
Rot. Bonds6

About ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate

ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate (PubChem CID 162731487) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate
PubChem CID162731487
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Nameethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)c(C2CC2)c1O
InChIInChI=1S/C19H19ClN2O4/c1-2-26-15(23)10-22-19(25)17-18(24)16(11-6-7-11)14(9-21-17)12-4-3-5-13(20)8-12/h3-5,8-9,11,24H,2,6-7,10H2,1H3,(H,22,25)
InChIKeyLICDOAWGRGRAKA-UHFFFAOYSA-N
XLogP3.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate (CID 162731487) is ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1ncc(-c2cccc(Cl)c2)c(C2CC2)c1O.
What is the InChIKey of ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate?
The InChIKey is LICDOAWGRGRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-2-26-15(23)10-22-19(25)17-18(24)16(11-6-7-11)14(9-21-17)12-4-3-5-13(20)8-12/h3-5,8-9,11,24H,2,6-7,10H2,1H3,(H,22,25).
What are the key properties of ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate?
ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate has a molecular weight of 374.82 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 162731487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).