methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate

C29H24FN3O4 — CID 147596080

IUPACmethyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Cc2cccc(-c3cc(C(=O)Cc4ccncc4F)ccc3CN)c2)nc1
InChIInChI=1S/C29H24FN3O4/c1-37-29(36)23-7-8-26(33-16-23)28(35)12-18-3-2-4-19(11-18)24-13-21(5-6-22(24)15-31)27(34)14-20-9-10-32-17-25(20)30/h2-11,13,16-17H,12,14-15,31H2,1H3
InChIKeyFZFCSGGZFPIUEZ-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.38
Rot. Bonds9

About methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate

methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate (PubChem CID 147596080) has the molecular formula C29H24FN3O4 and a molecular weight of 497.53 g/mol. Its IUPAC name is methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate
PubChem CID147596080
Molecular FormulaC29H24FN3O4
Molecular Weight497.53 g/mol
Exact Mass497.18
IUPAC Namemethyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Cc2cccc(-c3cc(C(=O)Cc4ccncc4F)ccc3CN)c2)nc1
InChIInChI=1S/C29H24FN3O4/c1-37-29(36)23-7-8-26(33-16-23)28(35)12-18-3-2-4-19(11-18)24-13-21(5-6-22(24)15-31)27(34)14-20-9-10-32-17-25(20)30/h2-11,13,16-17H,12,14-15,31H2,1H3
InChIKeyFZFCSGGZFPIUEZ-UHFFFAOYSA-N
XLogP4.38
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate with MolForge

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Related Compounds

Methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoyl]amino]benzoate
CID 71283262
AMPD2 inhibitor 1
CID 91970654
AMPD2 Inhibitor
CID 91970656
Propyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoyl]amino]benzoate
CID 118737373
5,10-Dioxo-5,10-dihydro-6-[2-(trifluoroacetylamino)phenyl]pyrido[3,2-g]quinoline-3-carboxylic acid ethyl ester
CID 11102727
Methyl 3-butyryl-4-(2-methylphenylamino)quinoline-8-carboxylate
CID 11726157
6-(4-((S)-1-((S)-6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl)ethyl)phenyl)nicotinamide
CID 58109674
6-[4-[[[(1R)-1-isoquinolin-8-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid
CID 91970655
Ethyl 6-(4-butylphenyl)quinoline-3-carboxylate
CID 168298910
Ethyl 6-(4-aminophenyl)quinoline-3-carboxylate
CID 168298969
Methyl 3-(ethoxycarbonyl)-4-[(3-pyridylmethyl)amino]quinoline-8-carboxylate
CID 2190438
Ethyl 6-(4-propylphenyl)quinoline-3-carboxylate
CID 168299304

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate (CID 147596080) is methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Cc2cccc(-c3cc(C(=O)Cc4ccncc4F)ccc3CN)c2)nc1.
What is the InChIKey of methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate?
The InChIKey is FZFCSGGZFPIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O4/c1-37-29(36)23-7-8-26(33-16-23)28(35)12-18-3-2-4-19(11-18)24-13-21(5-6-22(24)15-31)27(34)14-20-9-10-32-17-25(20)30/h2-11,13,16-17H,12,14-15,31H2,1H3.
What are the key properties of methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate?
methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate has a molecular weight of 497.53 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[3-[2-(aminomethyl)-5-[2-(3-fluoro-4-pyridinyl)acetyl]phenyl]phenyl]acetyl]pyridine-3-carboxylate is sourced from PubChem (CID 147596080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).