5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one

C22H26N2O3 — CID 68973955

IUPAC5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCOc1ccc(CNc2ncc(C3CCCCC3)c3c2C(=O)OCC3)cc1
InChIInChI=1S/C22H26N2O3/c1-26-17-9-7-15(8-10-17)13-23-21-20-18(11-12-27-22(20)25)19(14-24-21)16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,23,24)
InChIKeyOVBOTTAVYMVTTC-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.46
Rot. Bonds5

About 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one

5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 68973955) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
PubChem CID68973955
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCOc1ccc(CNc2ncc(C3CCCCC3)c3c2C(=O)OCC3)cc1
InChIInChI=1S/C22H26N2O3/c1-26-17-9-7-15(8-10-17)13-23-21-20-18(11-12-27-22(20)25)19(14-24-21)16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,23,24)
InChIKeyOVBOTTAVYMVTTC-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The IUPAC name of 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one (CID 68973955) is 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one is COc1ccc(CNc2ncc(C3CCCCC3)c3c2C(=O)OCC3)cc1.
What is the InChIKey of 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The InChIKey is OVBOTTAVYMVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-17-9-7-15(8-10-17)13-23-21-20-18(11-12-27-22(20)25)19(14-24-21)16-5-3-2-4-6-16/h7-10,14,16H,2-6,11-13H2,1H3,(H,23,24).
What are the key properties of 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one?
5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one has a molecular weight of 366.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-8-[(4-methoxyphenyl)methylamino]-3,4-dihydropyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 68973955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).