1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one

C19H19ClN6O3 — CID 139016213

IUPAC1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC(c2nn[nH]n2)C1
InChIInChI=1S/C19H19ClN6O3/c20-15-3-1-2-4-16(15)29-10-9-25-12-14(5-6-17(25)27)19(28)26-8-7-13(11-26)18-21-23-24-22-18/h1-6,12-13H,7-11H2,(H,21,22,23,24)
InChIKeyBEJDSWULRHAINR-UHFFFAOYSA-N
MW414.85 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one

1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one (PubChem CID 139016213) has the molecular formula C19H19ClN6O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one
PubChem CID139016213
Molecular FormulaC19H19ClN6O3
Molecular Weight414.85 g/mol
Exact Mass414.12
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC(c2nn[nH]n2)C1
InChIInChI=1S/C19H19ClN6O3/c20-15-3-1-2-4-16(15)29-10-9-25-12-14(5-6-17(25)27)19(28)26-8-7-13(11-26)18-21-23-24-22-18/h1-6,12-13H,7-11H2,(H,21,22,23,24)
InChIKeyBEJDSWULRHAINR-UHFFFAOYSA-N
XLogP1.72
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one (CID 139016213) is 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one is O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC(c2nn[nH]n2)C1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
The InChIKey is BEJDSWULRHAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O3/c20-15-3-1-2-4-16(15)29-10-9-25-12-14(5-6-17(25)27)19(28)26-8-7-13(11-26)18-21-23-24-22-18/h1-6,12-13H,7-11H2,(H,21,22,23,24).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one?
1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one has a molecular weight of 414.85 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 139016213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).