N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

C23H28N2O4S — CID 55659982

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)NCc2cccnc2OC2CCCC2)s1
InChIInChI=1S/C23H28N2O4S/c1-16-8-12-21(30-16)20(27)11-9-18(26)10-13-22(28)25-15-17-5-4-14-24-23(17)29-19-6-2-3-7-19/h4-5,8,12,14,19H,2-3,6-7,9-11,13,15H2,1H3,(H,25,28)
InChIKeyLLCFHVZZFVRLML-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.40
Rot. Bonds11

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (PubChem CID 55659982) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
PubChem CID55659982
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)NCc2cccnc2OC2CCCC2)s1
InChIInChI=1S/C23H28N2O4S/c1-16-8-12-21(30-16)20(27)11-9-18(26)10-13-22(28)25-15-17-5-4-14-24-23(17)29-19-6-2-3-7-19/h4-5,8,12,14,19H,2-3,6-7,9-11,13,15H2,1H3,(H,25,28)
InChIKeyLLCFHVZZFVRLML-UHFFFAOYSA-N
XLogP4.40
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide with MolForge

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Related Compounds

2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N-hydroxy-5-(5-((2-phenoxyethylamino)methyl)pyridin-2-yl)thiophene-2-carboxamide
CID 11696355
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-ethoxypyridine-3-carboxamide
CID 2079602
7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56683912
(E)-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 45209293
N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
CID 34879291
N-(2-ethoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 34879706
5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide
CID 34879722
N-(2-ethoxy-3-pyridinyl)-4,5-dimethylthiophene-2-carboxamide
CID 34953084
5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37486558
3-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]thiophene-2-carboxamide
CID 39503671

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (CID 55659982) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is Cc1ccc(C(=O)CCC(=O)CCC(=O)NCc2cccnc2OC2CCCC2)s1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The InChIKey is LLCFHVZZFVRLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-8-12-21(30-16)20(27)11-9-18(26)10-13-22(28)25-15-17-5-4-14-24-23(17)29-19-6-2-3-7-19/h4-5,8,12,14,19H,2-3,6-7,9-11,13,15H2,1H3,(H,25,28).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide has a molecular weight of 428.55 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is sourced from PubChem (CID 55659982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).