N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide

C23H20ClN3O4 — CID 42534100

IUPACN-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide
SMILESCC1(C)Cc2c(C#N)c(OCC(=O)Nc3cccc(Cl)c3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C23H20ClN3O4/c1-23(2)10-16-17(11-25)22(27-21(18(16)12-31-23)19-7-4-8-29-19)30-13-20(28)26-15-6-3-5-14(24)9-15/h3-9H,10,12-13H2,1-2H3,(H,26,28)
InChIKeyRBBXTEYNIYHTIQ-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.74
Rot. Bonds5

About N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide

N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide (PubChem CID 42534100) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide
PubChem CID42534100
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC NameN-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide
SMILESCC1(C)Cc2c(C#N)c(OCC(=O)Nc3cccc(Cl)c3)nc(-c3ccco3)c2CO1
InChIInChI=1S/C23H20ClN3O4/c1-23(2)10-16-17(11-25)22(27-21(18(16)12-31-23)19-7-4-8-29-19)30-13-20(28)26-15-6-3-5-14(24)9-15/h3-9H,10,12-13H2,1-2H3,(H,26,28)
InChIKeyRBBXTEYNIYHTIQ-UHFFFAOYSA-N
XLogP4.74
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide with MolForge

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Related Compounds

2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 71708639
2-(3-chloro-4-cyanophenoxy)-N-(3-chlorophenyl)acetamide
CID 102674501
2-[(4-cyano-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)oxy]-N-(3-methoxyphenyl)acetamide
CID 39354508
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
N-(3-chlorophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682474
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 17359051
2-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(3-chlorophenyl)propanamide
CID 23970568
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
N-(3-chlorophenyl)-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]acetamide
CID 79800534
N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide
CID 51142058

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide (CID 42534100) is N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide is CC1(C)Cc2c(C#N)c(OCC(=O)Nc3cccc(Cl)c3)nc(-c3ccco3)c2CO1.
What is the InChIKey of N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide?
The InChIKey is RBBXTEYNIYHTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-23(2)10-16-17(11-25)22(27-21(18(16)12-31-23)19-7-4-8-29-19)30-13-20(28)26-15-6-3-5-14(24)9-15/h3-9H,10,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide?
N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide has a molecular weight of 437.88 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]oxy]acetamide is sourced from PubChem (CID 42534100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).