5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide

C26H33N3O3 — CID 156907464

IUPAC5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OC2CCCCC2)c1C
InChIInChI=1S/C26H33N3O3/c1-16-13-17(2)28-26(31)23(16)15-27-25(30)22-14-20-9-8-12-29(20)24(18(22)3)19(4)32-21-10-6-5-7-11-21/h8-9,12-14,19,21,23H,5-7,10-11,15H2,1-4H3,(H,27,30)
InChIKeyYOMLACWUCVIARS-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.95
Rot. Bonds6

About 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide

5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide (PubChem CID 156907464) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide.

Molecular Properties

Compound Name5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
PubChem CID156907464
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OC2CCCCC2)c1C
InChIInChI=1S/C26H33N3O3/c1-16-13-17(2)28-26(31)23(16)15-27-25(30)22-14-20-9-8-12-29(20)24(18(22)3)19(4)32-21-10-6-5-7-11-21/h8-9,12-14,19,21,23H,5-7,10-11,15H2,1-4H3,(H,27,30)
InChIKeyYOMLACWUCVIARS-UHFFFAOYSA-N
XLogP4.95
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(benzyloxy)methyl]-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
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2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl 1H-indole-3-carboxylate
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[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 1-methylindole-3-carboxylate
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(6R)-6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16202187
2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl 1H-indole-3-carboxylate
CID 16308810
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-3-(methoxydipyridin-2-ylmethyl)benzamide [152]
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Ethyl 1-benzyl-2-propan-2-yl-3-(pyridin-3-ylmethylcarbamoyl)indole-6-carboxylate
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CID 67239106
1-methyl-8-N-[(1R)-1-phenylpropyl]-6-N-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89726176
8-N-[(1R)-1-phenylpropyl]-6-N-[(1R)-1-pyridin-2-ylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89726559
6-N-[1-(6-methyl-3-pyridinyl)propyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 89733884

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The IUPAC name of 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide (CID 156907464) is 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide.
What is the SMILES notation for 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The canonical SMILES for 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OC2CCCCC2)c1C.
What is the InChIKey of 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The InChIKey is YOMLACWUCVIARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-16-13-17(2)28-26(31)23(16)15-27-25(30)22-14-20-9-8-12-29(20)24(18(22)3)19(4)32-21-10-6-5-7-11-21/h8-9,12-14,19,21,23H,5-7,10-11,15H2,1-4H3,(H,27,30).
What are the key properties of 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).