N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide

C29H24N2O5 — CID 66779357

IUPACN-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
SMILESCOc1cc(-c2cc3nccc(-c4ccc(C(=O)Nc5ccccc5)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C29H24N2O5/c1-33-25-15-20(16-26(34-2)28(25)35-3)24-17-23-27(36-24)22(13-14-30-23)18-9-11-19(12-10-18)29(32)31-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,31,32)
InChIKeyPXOWDPQKEHQXIV-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.44
Rot. Bonds7

About N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide

N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide (PubChem CID 66779357) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
PubChem CID66779357
Molecular FormulaC29H24N2O5
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC NameN-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
SMILESCOc1cc(-c2cc3nccc(-c4ccc(C(=O)Nc5ccccc5)cc4)c3o2)cc(OC)c1OC
InChIInChI=1S/C29H24N2O5/c1-33-25-15-20(16-26(34-2)28(25)35-3)24-17-23-27(36-24)22(13-14-30-23)18-9-11-19(12-10-18)29(32)31-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,31,32)
InChIKeyPXOWDPQKEHQXIV-UHFFFAOYSA-N
XLogP6.44
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500
methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 66779542
[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine
CID 66778947
7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 118011717
7-(2-methoxy-4-pyridinyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779809
(4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one
CID 157326078
methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate
CID 66779782
4-tert-butyl-N-[3-[2-(3,4-dimethoxyphenyl)furo[3,2-b]pyridin-7-yl]-2-methylphenyl]benzamide
CID 66779593
N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 56849171
7-(2-ethoxy-6-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779798
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
The IUPAC name of N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide (CID 66779357) is N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide.
What is the SMILES notation for N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
The canonical SMILES for N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide is COc1cc(-c2cc3nccc(-c4ccc(C(=O)Nc5ccccc5)cc4)c3o2)cc(OC)c1OC.
What is the InChIKey of N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
The InChIKey is PXOWDPQKEHQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5/c1-33-25-15-20(16-26(34-2)28(25)35-3)24-17-23-27(36-24)22(13-14-30-23)18-9-11-19(12-10-18)29(32)31-21-7-5-4-6-8-21/h4-17H,1-3H3,(H,31,32).
What are the key properties of N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide has a molecular weight of 480.52 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 66779357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).