5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide

C18H20ClN3O4 — CID 175177057

IUPAC5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide
SMILESCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO
InChIInChI=1S/C18H20ClN3O4/c1-2-20-17(25)15-8-7-14(18(26)22(15)9-10-23)16(24)21-11-12-3-5-13(19)6-4-12/h3-8,23H,2,9-11H2,1H3,(H,20,25)(H,21,24)
InChIKeyCHXHZHDCHJMZGO-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.17
Rot. Bonds7

About 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide

5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide (PubChem CID 175177057) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide
PubChem CID175177057
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide
SMILESCCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO
InChIInChI=1S/C18H20ClN3O4/c1-2-20-17(25)15-8-7-14(18(26)22(15)9-10-23)16(24)21-11-12-3-5-13(19)6-4-12/h3-8,23H,2,9-11H2,1H3,(H,20,25)(H,21,24)
InChIKeyCHXHZHDCHJMZGO-UHFFFAOYSA-N
XLogP1.17
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide (CID 175177057) is 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide is CCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)c(=O)n1CCO.
What is the InChIKey of 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide?
The InChIKey is CHXHZHDCHJMZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-2-20-17(25)15-8-7-14(18(26)22(15)9-10-23)16(24)21-11-12-3-5-13(19)6-4-12/h3-8,23H,2,9-11H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide?
5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide has a molecular weight of 377.83 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-chlorophenyl)methyl]-2-N-ethyl-1-(2-hydroxyethyl)-6-oxopyridine-2,5-dicarboxamide is sourced from PubChem (CID 175177057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).