1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea

C19H24FN5O — CID 86987548

IUPAC1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
SMILESCc1cc(F)ccc1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C19H24FN5O/c1-14-11-16(20)4-5-17(14)23-19(26)22-13-15-3-6-18(21-12-15)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,23,26)
InChIKeyJUFQYYHHWJPCDE-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea

1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 86987548) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
PubChem CID86987548
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
SMILESCc1cc(F)ccc1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C19H24FN5O/c1-14-11-16(20)4-5-17(14)23-19(26)22-13-15-3-6-18(21-12-15)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,23,26)
InChIKeyJUFQYYHHWJPCDE-UHFFFAOYSA-N
XLogP2.60
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986935
1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55794563
1-(3-chloro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86986581
2-(3-fluorophenoxy)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 86984881
1-(furan-3-ylmethyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 51084129
1-(2-cyano-4-fluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 78894419
7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42935967
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 127273919
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111307682
4-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methylcarbamoylamino]-N,3-dimethylbenzamide
CID 55740946
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea (CID 86987548) is 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea is Cc1cc(F)ccc1NC(=O)NCc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is JUFQYYHHWJPCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-14-11-16(20)4-5-17(14)23-19(26)22-13-15-3-6-18(21-12-15)25-9-7-24(2)8-10-25/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea?
1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 357.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 86987548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).