N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide

C20H26N2O2S — CID 53167250

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
SMILESCCCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
InChIInChI=1S/C20H26N2O2S/c1-3-12-22-13-10-16-18(20(22)24)17(14(2)25-16)19(23)21-11-9-15-7-5-4-6-8-15/h7,10,13H,3-6,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyGNOOZJKICLZQQE-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide (PubChem CID 53167250) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
PubChem CID53167250
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
SMILESCCCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O
InChIInChI=1S/C20H26N2O2S/c1-3-12-22-13-10-16-18(20(22)24)17(14(2)25-16)19(23)21-11-9-15-7-5-4-6-8-15/h7,10,13H,3-6,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyGNOOZJKICLZQQE-UHFFFAOYSA-N
XLogP4.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.40
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

2-methyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
CID 53167268
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110680939
N-[2-(cyclohexen-1-yl)ethyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 17493936
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847445
ethyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 43953955
1-[2-(cyclohexen-1-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 82121678
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
3-butyl-N-[2-(cyclohexen-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 9118962
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34742403
N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647531

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide (CID 53167250) is N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide is CCCn1ccc2sc(C)c(C(=O)NCCC3=CCCCC3)c2c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
The InChIKey is GNOOZJKICLZQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-12-22-13-10-16-18(20(22)24)17(14(2)25-16)19(23)21-11-9-15-7-5-4-6-8-15/h7,10,13H,3-6,8-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53167250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).