N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide

C27H28N4O2 — CID 11532260

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccnc(C3=NCCCN3)c2)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C27H28N4O2/c32-26(31-22-10-9-20-5-2-6-21(20)17-22)11-8-19-4-1-7-23(16-19)33-24-12-15-28-25(18-24)27-29-13-3-14-30-27/h1,4,7,9-10,12,15-18H,2-3,5-6,8,11,13-14H2,(H,29,30)(H,31,32)
InChIKeyCTUFLFBWTKCRIK-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.67
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (PubChem CID 11532260) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
PubChem CID11532260
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
SMILESO=C(CCc1cccc(Oc2ccnc(C3=NCCCN3)c2)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C27H28N4O2/c32-26(31-22-10-9-20-5-2-6-21(20)17-22)11-8-19-4-1-7-23(16-19)33-24-12-15-28-25(18-24)27-29-13-3-14-30-27/h1,4,7,9-10,12,15-18H,2-3,5-6,8,11,13-14H2,(H,29,30)(H,31,32)
InChIKeyCTUFLFBWTKCRIK-UHFFFAOYSA-N
XLogP4.67
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 68684867
3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[3-fluoro-5-(trifluoromethyl)phenyl]propanamide
CID 58674427
N-[3-amino-5-(trifluoromethyl)phenyl]-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 58674611
3-[4-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-(3-methylphenyl)propanamide
CID 58674307
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 143262869
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 43309050
lithium;3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-(piperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]propanamide;4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoic acid;methyl 4-[3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanoylamino]-2-(trifluoromethyl)benzoate;piperazine;hydroxide
CID 157238575
3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
CID 162582215
3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-methylphenoxy)propanamide
CID 8921028

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide (CID 11532260) is N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is O=C(CCc1cccc(Oc2ccnc(C3=NCCCN3)c2)c1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
The InChIKey is CTUFLFBWTKCRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-26(31-22-10-9-20-5-2-6-21(20)17-22)11-8-19-4-1-7-23(16-19)33-24-12-15-28-25(18-24)27-29-13-3-14-30-27/h1,4,7,9-10,12,15-18H,2-3,5-6,8,11,13-14H2,(H,29,30)(H,31,32).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide has a molecular weight of 440.55 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]phenyl]propanamide is sourced from PubChem (CID 11532260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).