propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate

C22H26N2O4 — CID 11315060

IUPACpropan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
SMILESCC(C)OC(=O)CCC1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1
InChIInChI=1S/C22H26N2O4/c1-14(2)27-21(25)10-4-15-3-5-17-12-19(8-6-16(17)11-15)28-20-9-7-18(13-24-20)22(23)26/h6-9,12-15H,3-5,10-11H2,1-2H3,(H2,23,26)
InChIKeyNNJRZXKNBRJVOK-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.81
Rot. Bonds7

About propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate

propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate (PubChem CID 11315060) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
PubChem CID11315060
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namepropan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
SMILESCC(C)OC(=O)CCC1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1
InChIInChI=1S/C22H26N2O4/c1-14(2)27-21(25)10-4-15-3-5-17-12-19(8-6-16(17)11-15)28-20-9-7-18(13-24-20)22(23)26/h6-9,12-15H,3-5,10-11H2,1-2H3,(H2,23,26)
InChIKeyNNJRZXKNBRJVOK-UHFFFAOYSA-N
XLogP3.81
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)oxy]pyridine-3-carboxamide
CID 59750644
6-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 59730015
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
CID 59730393
6-[[1-(2-methylbutylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673614
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672312
6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
6-[[1-[cyclopropyl(methyl)amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673731
6-[[2-(pentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672841
6-[[1-(cyclopentylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673676
6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 69344197
6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 90971655

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate?
The IUPAC name of propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate (CID 11315060) is propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate.
What is the SMILES notation for propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate?
The canonical SMILES for propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate is CC(C)OC(=O)CCC1CCc2cc(Oc3ccc(C(N)=O)cn3)ccc2C1.
What is the InChIKey of propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate?
The InChIKey is NNJRZXKNBRJVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14(2)27-21(25)10-4-15-3-5-17-12-19(8-6-16(17)11-15)28-20-9-7-18(13-24-20)22(23)26/h6-9,12-15H,3-5,10-11H2,1-2H3,(H2,23,26).
What are the key properties of propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate?
propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate has a molecular weight of 382.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate is sourced from PubChem (CID 11315060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).