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

C30H33N3O6 — CID 56849171

IUPACN-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2N)cc1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12
InChIInChI=1S/C30H33N3O6/c1-35-24-10-9-17(30(34)33-22-8-6-5-7-21(22)31)13-20(24)19-11-12-32-23-16-25(39-28(19)23)18-14-26(36-2)29(38-4)27(15-18)37-3/h9-16,21-22H,5-8,31H2,1-4H3,(H,33,34)
InChIKeyPJGCEEIVPSBPDI-UHFFFAOYSA-N
MW531.61 g/mol
LogP5.20
Rot. Bonds8

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

N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide (PubChem CID 56849171) has the molecular formula C30H33N3O6 and a molecular weight of 531.61 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
PubChem CID56849171
Molecular FormulaC30H33N3O6
Molecular Weight531.61 g/mol
Exact Mass531.24
IUPAC NameN-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2N)cc1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12
InChIInChI=1S/C30H33N3O6/c1-35-24-10-9-17(30(34)33-22-8-6-5-7-21(22)31)13-20(24)19-11-12-32-23-16-25(39-28(19)23)18-14-26(36-2)29(38-4)27(15-18)37-3/h9-16,21-22H,5-8,31H2,1-4H3,(H,33,34)
InChIKeyPJGCEEIVPSBPDI-UHFFFAOYSA-N
XLogP5.20
TPSA118.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.61
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide with MolForge

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Related Compounds

methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 66779542
methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500
N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 66779357
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
7-(2-methoxy-4-pyridinyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779809
nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid
CID 174691844
7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 118011717
N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide
CID 104783797
tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate
CID 66779886
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
The IUPAC name of N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide (CID 56849171) is N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide is COc1ccc(C(=O)NC2CCCCC2N)cc1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12.
What is the InChIKey of N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
The InChIKey is PJGCEEIVPSBPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O6/c1-35-24-10-9-17(30(34)33-22-8-6-5-7-21(22)31)13-20(24)19-11-12-32-23-16-25(39-28(19)23)18-14-26(36-2)29(38-4)27(15-18)37-3/h9-16,21-22H,5-8,31H2,1-4H3,(H,33,34).
What are the key properties of N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide?
N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide has a molecular weight of 531.61 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 56849171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).