3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide

C28H23N3O3 — CID 160601958

IUPAC3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)NCc4ccccn4)cc2C3)c1
InChIInChI=1S/C28H23N3O3/c1-34-22-7-4-5-17(12-22)19-13-24-23-9-8-18(28(33)31-16-21-6-2-3-10-30-21)11-20(23)15-25(24)26(14-19)27(29)32/h2-14H,15-16H2,1H3,(H2,29,32)(H,31,33)
InChIKeyREJSYPPQKGCJBL-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.36
Rot. Bonds6

About 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide

3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide (PubChem CID 160601958) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide
PubChem CID160601958
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)NCc4ccccn4)cc2C3)c1
InChIInChI=1S/C28H23N3O3/c1-34-22-7-4-5-17(12-22)19-13-24-23-9-8-18(28(33)31-16-21-6-2-3-10-30-21)11-20(23)15-25(24)26(14-19)27(29)32/h2-14H,15-16H2,1H3,(H2,29,32)(H,31,33)
InChIKeyREJSYPPQKGCJBL-UHFFFAOYSA-N
XLogP4.36
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-methoxyphenyl)-5H-indeno[1,2-b]pyridine-6-carboxamide
CID 160526281
2-(2-methoxyethoxy)ethyl 2-[8-carbamoyl-6-(3-methoxyphenyl)-9H-fluoren-2-yl]acetate
CID 158776823
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
1-fluoro-N-[(3-methoxyphenyl)methyl]-9H-indeno[2,1-c]pyridine-7-carboxamide
CID 160632843
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
1-[(3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzotriazole-5-carboxamide
CID 53199623
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42755526

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide (CID 160601958) is 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide is COc1cccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)NCc4ccccn4)cc2C3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide?
The InChIKey is REJSYPPQKGCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-34-22-7-4-5-17(12-22)19-13-24-23-9-8-18(28(33)31-16-21-6-2-3-10-30-21)11-20(23)15-25(24)26(14-19)27(29)32/h2-14H,15-16H2,1H3,(H2,29,32)(H,31,33).
What are the key properties of 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide?
3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-N-(pyridin-2-ylmethyl)-9H-fluorene-1,7-dicarboxamide is sourced from PubChem (CID 160601958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).