5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide

C28H35N3O5 — CID 26323415

IUPAC5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)N(C)[C@@H]2CCOC2)c1
InChIInChI=1S/C28H35N3O5/c1-30(22-13-15-36-19-22)28(34)24-18-31(16-21-10-6-7-11-25(21)35-2)17-23(26(24)32)27(33)29-14-12-20-8-4-3-5-9-20/h6-8,10-11,17-18,22H,3-5,9,12-16,19H2,1-2H3,(H,29,33)/t22-/m1/s1
InChIKeyULGYBBJBZNXEFP-JOCHJYFZSA-N
MW493.60 g/mol
LogP3.39
Rot. Bonds9

About 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide

5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide (PubChem CID 26323415) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide
PubChem CID26323415
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Name5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide
SMILESCOc1ccccc1Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)N(C)[C@@H]2CCOC2)c1
InChIInChI=1S/C28H35N3O5/c1-30(22-13-15-36-19-22)28(34)24-18-31(16-21-10-6-7-11-25(21)35-2)17-23(26(24)32)27(33)29-14-12-20-8-4-3-5-9-20/h6-8,10-11,17-18,22H,3-5,9,12-16,19H2,1-2H3,(H,29,33)/t22-/m1/s1
InChIKeyULGYBBJBZNXEFP-JOCHJYFZSA-N
XLogP3.39
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(3-ethoxypropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323463
5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-hydroxy-2,2-dimethylpropyl)-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26317211
3-N-cyclohexyl-1-[(2-methoxyphenyl)methyl]-3-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 26278405
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052430
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184369
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 15991965

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide (CID 26323415) is 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide is COc1ccccc1Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c(C(=O)N(C)[C@@H]2CCOC2)c1.
What is the InChIKey of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide?
The InChIKey is ULGYBBJBZNXEFP-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-30(22-13-15-36-19-22)28(34)24-18-31(16-21-10-6-7-11-25(21)35-2)17-23(26(24)32)27(33)29-14-12-20-8-4-3-5-9-20/h6-8,10-11,17-18,22H,3-5,9,12-16,19H2,1-2H3,(H,29,33)/t22-/m1/s1.
What are the key properties of 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide?
5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide has a molecular weight of 493.60 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-3-N-methyl-4-oxo-3-N-[(3R)-oxolan-3-yl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26323415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).