N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide

C24H27ClN2O3 — CID 67020317

IUPACN-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
SMILESCC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(C3C=CCCC3)nc2O1
InChIInChI=1S/C24H27ClN2O3/c1-24(2)13-20(26-21(29)14-28)19-12-18(15-8-10-17(25)11-9-15)22(27-23(19)30-24)16-6-4-3-5-7-16/h4,6,8-12,16,20,28H,3,5,7,13-14H2,1-2H3,(H,26,29)
InChIKeyVMMSONKQQCYNOE-UHFFFAOYSA-N
MW426.94 g/mol
LogP4.94
Rot. Bonds4

About N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide

N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide (PubChem CID 67020317) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
PubChem CID67020317
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC NameN-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide
SMILESCC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(C3C=CCCC3)nc2O1
InChIInChI=1S/C24H27ClN2O3/c1-24(2)13-20(26-21(29)14-28)19-12-18(15-8-10-17(25)11-9-15)22(27-23(19)30-24)16-6-4-3-5-7-16/h4,6,8-12,16,20,28H,3,5,7,13-14H2,1-2H3,(H,26,29)
InChIKeyVMMSONKQQCYNOE-UHFFFAOYSA-N
XLogP4.94
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.94
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide (CID 67020317) is N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide is CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(C3C=CCCC3)nc2O1.
What is the InChIKey of N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
The InChIKey is VMMSONKQQCYNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3/c1-24(2)13-20(26-21(29)14-28)19-12-18(15-8-10-17(25)11-9-15)22(27-23(19)30-24)16-6-4-3-5-7-16/h4,6,8-12,16,20,28H,3,5,7,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide?
N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide has a molecular weight of 426.94 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-7-cyclohex-2-en-1-yl-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 67020317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).