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

C26H31N3O3 — CID 156907463

IUPAC5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(CCOC2C=CCCC2)c1C
InChIInChI=1S/C26H31N3O3/c1-17-14-18(2)28-26(31)23(17)16-27-25(30)22-15-20-8-7-12-29(20)24(19(22)3)11-13-32-21-9-5-4-6-10-21/h5,7-9,12,14-15,21,23H,4,6,10-11,13,16H2,1-3H3,(H,27,30)
InChIKeyMYZAVAMCSUVMAN-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.21
Rot. Bonds7

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

5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide (PubChem CID 156907463) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide.

Molecular Properties

Compound Name5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
PubChem CID156907463
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(CCOC2C=CCCC2)c1C
InChIInChI=1S/C26H31N3O3/c1-17-14-18(2)28-26(31)23(17)16-27-25(30)22-15-20-8-7-12-29(20)24(19(22)3)11-13-32-21-9-5-4-6-10-21/h5,7-9,12,14-15,21,23H,4,6,10-11,13,16H2,1-3H3,(H,27,30)
InChIKeyMYZAVAMCSUVMAN-UHFFFAOYSA-N
XLogP4.21
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 16308809
CID 16308809
CID 15952030
CID 15952030
CID 134340807
CID 134340807
CID 59504169
CID 59504169
CID 59762355
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CID 59762375
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CID 118436240
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CID 156907466
CID 156907466

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The IUPAC name of 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide (CID 156907463) is 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide.
What is the SMILES notation for 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The canonical SMILES for 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(CCOC2C=CCCC2)c1C.
What is the InChIKey of 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The InChIKey is MYZAVAMCSUVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-17-14-18(2)28-26(31)23(17)16-27-25(30)22-15-20-8-7-12-29(20)24(19(22)3)11-13-32-21-9-5-4-6-10-21/h5,7-9,12,14-15,21,23H,4,6,10-11,13,16H2,1-3H3,(H,27,30).
What are the key properties of 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohex-2-en-1-yloxyethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).