N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C18H20FN3O3 — CID 25156743

IUPACN-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCNC(=O)c1ncc2[nH]c3ccc(OCC[18F])cc3c2c1COC
InChIInChI=1S/C18H20FN3O3/c1-3-20-18(23)17-13(10-24-2)16-12-8-11(25-7-6-19)4-5-14(12)22-15(16)9-21-17/h4-5,8-9,22H,3,6-7,10H2,1-2H3,(H,20,23)/i19-1
InChIKeyZUHJZUBCWZJFAX-AWDFDDCISA-N
MW344.38 g/mol
LogP2.96
Rot. Bonds7

About N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 25156743) has the molecular formula C18H20FN3O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID25156743
Molecular FormulaC18H20FN3O3
Molecular Weight344.38 g/mol
Exact Mass344.15
IUPAC NameN-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCNC(=O)c1ncc2[nH]c3ccc(OCC[18F])cc3c2c1COC
InChIInChI=1S/C18H20FN3O3/c1-3-20-18(23)17-13(10-24-2)16-12-8-11(25-7-6-19)4-5-14(12)22-15(16)9-21-17/h4-5,8-9,22H,3,6-7,10H2,1-2H3,(H,20,23)/i19-1
InChIKeyZUHJZUBCWZJFAX-AWDFDDCISA-N
XLogP2.96
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide with MolForge

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Related Compounds

ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
4-(methoxymethyl)-6-phenoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039420
6-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462952
4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462944
4-(methoxymethyl)-6-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 177138853
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
ethyl 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392802
6-[(3-cyanophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462939
6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 23039425
2,3-dihydroxypropyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
CID 18963822
6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 177138836
ethyl 4-(methoxymethyl)-6-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138870

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 25156743) is N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is CCNC(=O)c1ncc2[nH]c3ccc(OCC[18F])cc3c2c1COC.
What is the InChIKey of N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is ZUHJZUBCWZJFAX-AWDFDDCISA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-3-20-18(23)17-13(10-24-2)16-12-8-11(25-7-6-19)4-5-14(12)22-15(16)9-21-17/h4-5,8-9,22H,3,6-7,10H2,1-2H3,(H,20,23)/i19-1.
What are the key properties of N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 25156743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).