N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide

C18H20ClN5O4 — CID 90426033

IUPACN-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2ccc(Oc3ccnc(Cl)c3)c(C)n2)C1=O
InChIInChI=1S/C18H20ClN5O4/c1-12-14(28-13-5-6-20-15(19)11-13)3-4-16(21-12)22-17(25)24-8-7-23(18(24)26)9-10-27-2/h3-6,11H,7-10H2,1-2H3,(H,21,22,25)
InChIKeyFFZIJYYIASNBNQ-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.15
Rot. Bonds6

About N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide

N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide (PubChem CID 90426033) has the molecular formula C18H20ClN5O4 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide
PubChem CID90426033
Molecular FormulaC18H20ClN5O4
Molecular Weight405.84 g/mol
Exact Mass405.12
IUPAC NameN-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2ccc(Oc3ccnc(Cl)c3)c(C)n2)C1=O
InChIInChI=1S/C18H20ClN5O4/c1-12-14(28-13-5-6-20-15(19)11-13)3-4-16(21-12)22-17(25)24-8-7-23(18(24)26)9-10-27-2/h3-6,11H,7-10H2,1-2H3,(H,21,22,25)
InChIKeyFFZIJYYIASNBNQ-UHFFFAOYSA-N
XLogP3.15
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide (CID 90426033) is N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide is COCCN1CCN(C(=O)Nc2ccc(Oc3ccnc(Cl)c3)c(C)n2)C1=O.
What is the InChIKey of N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide?
The InChIKey is FFZIJYYIASNBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O4/c1-12-14(28-13-5-6-20-15(19)11-13)3-4-16(21-12)22-17(25)24-8-7-23(18(24)26)9-10-27-2/h3-6,11H,7-10H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide?
N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]-3-(2-methoxyethyl)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 90426033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).