methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate

C19H15FN4O3 — CID 71060843

IUPACmethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)cc1F
InChIInChI=1S/C19H15FN4O3/c1-27-19(26)14-3-2-11(9-16(14)20)12-8-15(17(21)23-10-12)18(25)24-13-4-6-22-7-5-13/h2-10H,1H3,(H2,21,23)(H,22,24,25)
InChIKeyQMZHLDPYLWPXNH-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.90
Rot. Bonds4

About methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate

methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate (PubChem CID 71060843) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
PubChem CID71060843
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Namemethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
SMILESCOC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)cc1F
InChIInChI=1S/C19H15FN4O3/c1-27-19(26)14-3-2-11(9-16(14)20)12-8-15(17(21)23-10-12)18(25)24-13-4-6-22-7-5-13/h2-10H,1H3,(H2,21,23)(H,22,24,25)
InChIKeyQMZHLDPYLWPXNH-UHFFFAOYSA-N
XLogP2.90
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
CID 71061208
[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
CID 174791748
2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 123201906
2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061213
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
N-(4-acetamidophenyl)-5-(4-acetylphenyl)-2-aminopyridine-3-carboxamide
CID 164524580
tert-butyl N-[4-[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl]-4-oxobutyl]carbamate
CID 159902780
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 4-[[2-amino-5-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonyl]amino]benzoate
CID 155777473

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate (CID 71060843) is methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate is COC(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)cc1F.
What is the InChIKey of methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate?
The InChIKey is QMZHLDPYLWPXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-27-19(26)14-3-2-11(9-16(14)20)12-8-15(17(21)23-10-12)18(25)24-13-4-6-22-7-5-13/h2-10H,1H3,(H2,21,23)(H,22,24,25).
What are the key properties of methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate?
methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate has a molecular weight of 366.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate is sourced from PubChem (CID 71060843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).