N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide

C20H20Cl2N2O3 — CID 166828922

IUPACN-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide
SMILESCc1cc(C2C(C(=O)Nc3ccc(Cl)c(Cl)c3)C(O)CC3C(O)C32)ccn1
InChIInChI=1S/C20H20Cl2N2O3/c1-9-6-10(4-5-23-9)16-17-12(19(17)26)8-15(25)18(16)20(27)24-11-2-3-13(21)14(22)7-11/h2-7,12,15-19,25-26H,8H2,1H3,(H,24,27)
InChIKeyFVHSWBBGJYWWJQ-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.41
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide

N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide (PubChem CID 166828922) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide
PubChem CID166828922
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC NameN-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide
SMILESCc1cc(C2C(C(=O)Nc3ccc(Cl)c(Cl)c3)C(O)CC3C(O)C32)ccn1
InChIInChI=1S/C20H20Cl2N2O3/c1-9-6-10(4-5-23-9)16-17-12(19(17)26)8-15(25)18(16)20(27)24-11-2-3-13(21)14(22)7-11/h2-7,12,15-19,25-26H,8H2,1H3,(H,24,27)
InChIKeyFVHSWBBGJYWWJQ-UHFFFAOYSA-N
XLogP3.41
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide with MolForge

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Related Compounds

(1R,2R,3S,4R,5S,6R)-N-(3,4-dichlorophenyl)-5,6-dihydroxy-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 164517670
(1R,2R,3S,4R,5S)-N-(3,4-dichlorophenyl)-5-methoxy-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 151457872
(1S,2S,4R,5R,6R,7S)-N-(4-chloro-3-cyanophenyl)-7-(2-methyl-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
CID 150243371
(1R,2S,3S,4R,5S)-N-(5,6-dichloro-3-pyridinyl)-5-hydroxy-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,3R,4S,5R)-N-(5,6-dichloro-3-pyridinyl)-5-hydroxy-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 159292561
N-(3,4-dimethylphenyl)-5-fluoro-3-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 170415111
(1R,2R,3S,4R,5S)-N-(3,4-dichlorophenyl)-3-(2-fluoro-4-pyridinyl)-5-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 137357674
N-(4,5-dichloro-2-pyridinyl)-5-hydroxy-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 153257183
(1R,2S,3R,4S)-N-(3,4-dichlorophenyl)-3-pyridin-4-yl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510777
(1R,2S,3S,4R,5S)-N-(3,4-dichlorophenyl)-5-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide;(1S,2R,3R,4S,5R)-N-(3,4-dichlorophenyl)-5-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 157052932
(1S,2S,4R,5R,6R,7S)-N-(3,4-dichlorophenyl)-7-(2-methylpyrimidin-5-yl)-8-oxatricyclo[3.2.1.02,4]octane-6-carboxamide
CID 153408648
(1R,2R,3S,4R,5S)-N-(3,4-dichlorophenyl)-5-hydroxy-3-(2-methylpyrimidin-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 150416819
N-(3,4-dichlorophenyl)-5-hydroxy-3-(2-methylpyrimidin-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 156654677

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide (CID 166828922) is N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide is Cc1cc(C2C(C(=O)Nc3ccc(Cl)c(Cl)c3)C(O)CC3C(O)C32)ccn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide?
The InChIKey is FVHSWBBGJYWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-9-6-10(4-5-23-9)16-17-12(19(17)26)8-15(25)18(16)20(27)24-11-2-3-13(21)14(22)7-11/h2-7,12,15-19,25-26H,8H2,1H3,(H,24,27).
What are the key properties of N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide?
N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4,7-dihydroxy-2-(2-methyl-4-pyridinyl)bicyclo[4.1.0]heptane-3-carboxamide is sourced from PubChem (CID 166828922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).