N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

C27H30N6O4 — CID 86269027

IUPACN-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCCc1nc(NC(=O)N2CCN(C3CCOCC3)C2=O)ccc1Oc1ccnc(-c2ccnc(C)c2)c1
InChIInChI=1S/C27H30N6O4/c1-3-22-24(37-21-7-11-29-23(17-21)19-6-10-28-18(2)16-19)4-5-25(30-22)31-26(34)33-13-12-32(27(33)35)20-8-14-36-15-9-20/h4-7,10-11,16-17,20H,3,8-9,12-15H2,1-2H3,(H,30,31,34)
InChIKeyGJKUKORBSIURIG-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.65
Rot. Bonds6

About N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide

N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (PubChem CID 86269027) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
PubChem CID86269027
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC NameN-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide
SMILESCCc1nc(NC(=O)N2CCN(C3CCOCC3)C2=O)ccc1Oc1ccnc(-c2ccnc(C)c2)c1
InChIInChI=1S/C27H30N6O4/c1-3-22-24(37-21-7-11-29-23(17-21)19-6-10-28-18(2)16-19)4-5-25(30-22)31-26(34)33-13-12-32(27(33)35)20-8-14-36-15-9-20/h4-7,10-11,16-17,20H,3,8-9,12-15H2,1-2H3,(H,30,31,34)
InChIKeyGJKUKORBSIURIG-UHFFFAOYSA-N
XLogP4.65
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide (CID 86269027) is N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is CCc1nc(NC(=O)N2CCN(C3CCOCC3)C2=O)ccc1Oc1ccnc(-c2ccnc(C)c2)c1.
What is the InChIKey of N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
The InChIKey is GJKUKORBSIURIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-3-22-24(37-21-7-11-29-23(17-21)19-6-10-28-18(2)16-19)4-5-25(30-22)31-26(34)33-13-12-32(27(33)35)20-8-14-36-15-9-20/h4-7,10-11,16-17,20H,3,8-9,12-15H2,1-2H3,(H,30,31,34).
What are the key properties of N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide?
N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide has a molecular weight of 502.58 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-3-(oxan-4-yl)-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 86269027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).