N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide

C18H22N2O4 — CID 58187269

IUPACN-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide
SMILESC=C1Cc2oc(=O)c(NC(C)=O)c(CCC3CCCC3)c2C(=O)N1
InChIInChI=1S/C18H22N2O4/c1-10-9-14-15(17(22)19-10)13(8-7-12-5-3-4-6-12)16(18(23)24-14)20-11(2)21/h12H,1,3-9H2,2H3,(H,19,22)(H,20,21)
InChIKeyLDLYCOSXJPCNJT-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.52
Rot. Bonds4

About N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide

N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide (PubChem CID 58187269) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide
PubChem CID58187269
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide
SMILESC=C1Cc2oc(=O)c(NC(C)=O)c(CCC3CCCC3)c2C(=O)N1
InChIInChI=1S/C18H22N2O4/c1-10-9-14-15(17(22)19-10)13(8-7-12-5-3-4-6-12)16(18(23)24-14)20-11(2)21/h12H,1,3-9H2,2H3,(H,19,22)(H,20,21)
InChIKeyLDLYCOSXJPCNJT-UHFFFAOYSA-N
XLogP2.52
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide with MolForge

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Related Compounds

4-(2-cyclopentylethyl)-3-methyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187280
7-methylidene-4-(4-methylpentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187292
4-(cycloheptylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187304
4-(cyclohexylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187315
4-[3-(2-ethylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187331
4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187349
4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187364
4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187377
4-[2-(2-ethylcyclopropyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187400
4-(cyclopent-2-en-1-ylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187415
7-methylidene-4-[3-(1-propan-2-ylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187445
4-butyl-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187452

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide?
The IUPAC name of N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide (CID 58187269) is N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide?
The canonical SMILES for N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide is C=C1Cc2oc(=O)c(NC(C)=O)c(CCC3CCCC3)c2C(=O)N1.
What is the InChIKey of N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide?
The InChIKey is LDLYCOSXJPCNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10-9-14-15(17(22)19-10)13(8-7-12-5-3-4-6-12)16(18(23)24-14)20-11(2)21/h12H,1,3-9H2,2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide?
N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 58187269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).