3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide

C23H26N3O5- — CID 87908435

IUPAC3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide
SMILESCOc1cc(C(CC(N)=O)C2C(=O)c3ncccc3N2[O-])ccc1OC1CCCCC1
InChIInChI=1S/C23H26N3O5/c1-30-19-12-14(9-10-18(19)31-15-6-3-2-4-7-15)16(13-20(24)27)22-23(28)21-17(26(22)29)8-5-11-25-21/h5,8-12,15-16,22H,2-4,6-7,13H2,1H3,(H2,24,27)/q-1
InChIKeyNQGOFOCFRHVGFZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.33
Rot. Bonds7

About 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide

3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide (PubChem CID 87908435) has the molecular formula C23H26N3O5- and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide
PubChem CID87908435
Molecular FormulaC23H26N3O5-
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide
SMILESCOc1cc(C(CC(N)=O)C2C(=O)c3ncccc3N2[O-])ccc1OC1CCCCC1
InChIInChI=1S/C23H26N3O5/c1-30-19-12-14(9-10-18(19)31-15-6-3-2-4-7-15)16(13-20(24)27)22-23(28)21-17(26(22)29)8-5-11-25-21/h5,8-12,15-16,22H,2-4,6-7,13H2,1H3,(H2,24,27)/q-1
InChIKeyNQGOFOCFRHVGFZ-UHFFFAOYSA-N
XLogP3.33
TPSA117.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 87908363
3-(4-cyclohexyloxy-3-ethoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanenitrile
CID 87908391
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-oxido-3-oxo-1,2-dihydropyrrolo[3,2-c]pyridin-1-ium-2-yl)propanamide
CID 87908370
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CID 66513349
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3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 159704439
4-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-pyrrol-1-yl-1,3-dihydroisoindol-2-yl)butan-2-one
CID 123347103
3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide (CID 87908435) is 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide is COc1cc(C(CC(N)=O)C2C(=O)c3ncccc3N2[O-])ccc1OC1CCCCC1.
What is the InChIKey of 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide?
The InChIKey is NQGOFOCFRHVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N3O5/c1-30-19-12-14(9-10-18(19)31-15-6-3-2-4-7-15)16(13-20(24)27)22-23(28)21-17(26(22)29)8-5-11-25-21/h5,8-12,15-16,22H,2-4,6-7,13H2,1H3,(H2,24,27)/q-1.
What are the key properties of 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide?
3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide has a molecular weight of 424.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 87908435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).