1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one

C23H28N6O3 — CID 155563861

IUPAC1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
SMILESCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccnc(N)c4)C3=O)cc2)no1
InChIInChI=1S/C23H28N6O3/c1-16(8-11-28-12-13-29(23(28)30)19-7-10-25-21(24)15-19)9-14-31-20-5-3-18(4-6-20)22-26-17(2)32-27-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H2,24,25)
InChIKeyPAOTUNRGDZBWKD-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.76
Rot. Bonds9

About 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one

1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one (PubChem CID 155563861) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
PubChem CID155563861
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
SMILESCc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccnc(N)c4)C3=O)cc2)no1
InChIInChI=1S/C23H28N6O3/c1-16(8-11-28-12-13-29(23(28)30)19-7-10-25-21(24)15-19)9-14-31-20-5-3-18(4-6-20)22-26-17(2)32-27-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H2,24,25)
InChIKeyPAOTUNRGDZBWKD-UHFFFAOYSA-N
XLogP3.76
TPSA110.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
Vanoglipel
CID 121304331
1-[5-[4-(5-Ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278485
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491864
N-isopropyl-2-(4-propylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 56945245
Enterovirus 71 Inhibitor NLD-22
CID 146018673
1-[3-Methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278484
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 91799322
1-(2-Amino-4-pyridinyl)-3-[5-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155520438
1-(2-Amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-propyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
CID 155527644

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one (CID 155563861) is 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one is Cc1nc(-c2ccc(OCCC(C)CCN3CCN(c4ccnc(N)c4)C3=O)cc2)no1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
The InChIKey is PAOTUNRGDZBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16(8-11-28-12-13-29(23(28)30)19-7-10-25-21(24)15-19)9-14-31-20-5-3-18(4-6-20)22-26-17(2)32-27-22/h3-7,10,15-16H,8-9,11-14H2,1-2H3,(H2,24,25).
What are the key properties of 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one?
1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one has a molecular weight of 436.52 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one is sourced from PubChem (CID 155563861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).