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

C17H19FN4O3 — CID 11709959

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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Related Compounds

1-[3-fluoro-5-(pyrrol-1-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 142687518
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339
1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11660722
1-[3-fluoro-5-[[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 56838627
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
1-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676996
1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea
CID 155673810
propan-2-yl 4-[3-[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]propyl]piperazine-1-carboxylate
CID 66676625
1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 91571266
4-[1-[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]ethyl]piperazine-1-carboxylic acid
CID 68971267
1-[3-fluoro-5-[(1-oxo-3,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-5-yl)methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 68969614
bis(tert-butyl 4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate);N,N-dimethylsulfamoyl chloride;1-[3-[[4-(dimethylsulfamoyl)piperazin-1-yl]methyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea;methyl carbonochloridate;methyl 4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate;dihydrofluoride
CID 160899656

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).