3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea

C19H22FN3O — CID 119045926

IUPAC3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NC2CCCc3cc(F)ccc32)nc1
InChIInChI=1S/C19H22FN3O/c1-13-6-8-16(21-11-13)12-23(2)19(24)22-18-5-3-4-14-10-15(20)7-9-17(14)18/h6-11,18H,3-5,12H2,1-2H3,(H,22,24)
InChIKeyMASNKYQQTYYQFK-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.75
Rot. Bonds3

About 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea

3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea (PubChem CID 119045926) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
PubChem CID119045926
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NC2CCCc3cc(F)ccc32)nc1
InChIInChI=1S/C19H22FN3O/c1-13-6-8-16(21-11-13)12-23(2)19(24)22-18-5-3-4-14-10-15(20)7-9-17(14)18/h6-11,18H,3-5,12H2,1-2H3,(H,22,24)
InChIKeyMASNKYQQTYYQFK-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea with MolForge

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Related Compounds

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1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-(2-fluorophenyl)cyclopentyl]urea
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1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]urea
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1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-(3-fluorophenyl)cyclopentyl]urea
CID 66549652
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3R)-3-phenylcyclopentyl]urea
CID 66551086
1-(6-fluoro-3-methylisoquinolin-5-yl)-3-[(1R,3S)-3-phenylcyclopentyl]urea
CID 68313317
N-[1-(4-tert-butylphenyl)ethyl]-N'-5-isoquinolinylurea
CID 9975006
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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea (CID 119045926) is 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea is Cc1ccc(CN(C)C(=O)NC2CCCc3cc(F)ccc32)nc1.
What is the InChIKey of 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
The InChIKey is MASNKYQQTYYQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-13-6-8-16(21-11-13)12-23(2)19(24)22-18-5-3-4-14-10-15(20)7-9-17(14)18/h6-11,18H,3-5,12H2,1-2H3,(H,22,24).
What are the key properties of 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea?
3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea has a molecular weight of 327.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 119045926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).