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Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate

C17H19FN4O3 — CID 11709959

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1
InChIInChI=1S/C17H19FN4O3/c1-11-4-5-14(9-19-11)20-16(23)21-15-7-12(6-13(18)8-15)10-22(2)17(24)25-3/h4-9H,10H2,1-3H3,(H2,20,21,23)
InChIKeyYMQRFIBSTYOGFL-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.37
Rot. Bonds4

About Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate

Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate (PubChem CID 11709959) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound NameMethyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate
PubChem CID11709959
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Namemethyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1
InChIInChI=1S/C17H19FN4O3/c1-11-4-5-14(9-19-11)20-16(23)21-15-7-12(6-13(18)8-15)10-22(2)17(24)25-3/h4-9H,10H2,1-3H3,(H2,20,21,23)
InChIKeyYMQRFIBSTYOGFL-UHFFFAOYSA-N
XLogP3.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate (CID 11709959) is methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate is COC(=O)N(C)Cc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1.
What is the InChIKey of Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate?
The InChIKey is YMQRFIBSTYOGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-11-4-5-14(9-19-11)20-16(23)21-15-7-12(6-13(18)8-15)10-22(2)17(24)25-3/h4-9H,10H2,1-3H3,(H2,20,21,23).
What are the key properties of Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate?
Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate has a molecular weight of 346.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 11709959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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