4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

C17H21NO3 — CID 58187377

IUPAC4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CC3CCC(C)CC3)c2C(=O)N1
InChIInChI=1S/C17H21NO3/c1-10-3-5-12(6-4-10)8-13-9-15(19)21-14-7-11(2)18-17(20)16(13)14/h9-10,12H,2-8H2,1H3,(H,18,20)
InChIKeyTUMBXNZIVMZQRZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds2

About 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione

4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187377) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187377
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CC3CCC(C)CC3)c2C(=O)N1
InChIInChI=1S/C17H21NO3/c1-10-3-5-12(6-4-10)8-13-9-15(19)21-14-7-11(2)18-17(20)16(13)14/h9-10,12H,2-8H2,1H3,(H,18,20)
InChIKeyTUMBXNZIVMZQRZ-UHFFFAOYSA-N
XLogP2.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1S)-3,3-difluorocyclopentyl]methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187330
4-[4-(difluoromethylidene)hexyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187601
4-[2-(3,3-difluorocyclobutyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187661
4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide
CID 143674442
N-[4-(2-cyclopentylethyl)-7-methylidene-2,5-dioxo-8H-pyrano[3,2-c]pyridin-3-yl]acetamide
CID 58187269
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
7-methylidene-4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187335
4-(cyclopropylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187340

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187377) is 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CC3CCC(C)CC3)c2C(=O)N1.
What is the InChIKey of 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is TUMBXNZIVMZQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10-3-5-12(6-4-10)8-13-9-15(19)21-14-7-11(2)18-17(20)16(13)14/h9-10,12H,2-8H2,1H3,(H,18,20).
What are the key properties of 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).