1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea

C20H26FN5O — CID 11660722

IUPAC1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCNC1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1
InChIInChI=1S/C20H26FN5O/c1-14-3-4-18(12-23-14)24-20(27)25-19-10-15(9-16(21)11-19)13-26-7-5-17(22-2)6-8-26/h3-4,9-12,17,22H,5-8,13H2,1-2H3,(H2,24,25,27)
InChIKeyLQUMDUUVDLNTQF-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.36
Rot. Bonds5

About 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea

1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea (PubChem CID 11660722) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
PubChem CID11660722
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
SMILESCNC1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1
InChIInChI=1S/C20H26FN5O/c1-14-3-4-18(12-23-14)24-20(27)25-19-10-15(9-16(21)11-19)13-26-7-5-17(22-2)6-8-26/h3-4,9-12,17,22H,5-8,13H2,1-2H3,(H2,24,25,27)
InChIKeyLQUMDUUVDLNTQF-UHFFFAOYSA-N
XLogP3.36
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-5-[[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 56838627
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339
1-[3-fluoro-5-(pyrrol-1-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 142687518
1-[4-[[3-fluoro-5-[(6-methyl-3-pyridinyl)amino]phenyl]methyl]piperazin-1-yl]ethanone
CID 156534539
1-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-5-fluorophenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66676996
N-[3-fluoro-5-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-6-methylpyridin-3-amine
CID 156534475
methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate
CID 11709959
N-[1-[[4-fluoro-3-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]piperidin-4-yl]-N-methylpropanamide
CID 56840161
4-[[3-fluoro-5-[(4-fluorophenyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylic acid
CID 68547760
methyl 4-[[3-[(6-cyano-3-pyridinyl)carbamoylamino]-5-fluorophenyl]methyl]piperazine-1-carboxylate
CID 66676183
propan-2-yl 4-[3-[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]propyl]piperazine-1-carboxylate
CID 66676625
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea (CID 11660722) is 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea is CNC1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1.
What is the InChIKey of 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea?
The InChIKey is LQUMDUUVDLNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-14-3-4-18(12-23-14)24-20(27)25-19-10-15(9-16(21)11-19)13-26-7-5-17(22-2)6-8-26/h3-4,9-12,17,22H,5-8,13H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea?
1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea has a molecular weight of 371.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]-3-(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 11660722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).