1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea

C17H18FN3O — CID 51080120

IUPAC1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1F
InChIInChI=1S/C17H18FN3O/c1-12-2-3-14(10-16(12)18)20-17(22)21(15-4-5-15)11-13-6-8-19-9-7-13/h2-3,6-10,15H,4-5,11H2,1H3,(H,20,22)
InChIKeyOKMHKJOZXUQMLF-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.73
Rot. Bonds4

About 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea

1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 51080120) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
PubChem CID51080120
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1F
InChIInChI=1S/C17H18FN3O/c1-12-2-3-14(10-16(12)18)20-17(22)21(15-4-5-15)11-13-6-8-19-9-7-13/h2-3,6-10,15H,4-5,11H2,1H3,(H,20,22)
InChIKeyOKMHKJOZXUQMLF-UHFFFAOYSA-N
XLogP3.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
CID 24535898
3-[cyclopropyl-[(3-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61191910
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
1-cyclopropyl-3-(2-methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 86987117
1-cyclopropyl-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-(pyridin-4-ylmethyl)urea
CID 118792543
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
2-[cyclopropyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834048
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 47049679
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
1-cyclopropyl-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874979

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea (CID 51080120) is 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea is Cc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1F.
What is the InChIKey of 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is OKMHKJOZXUQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-12-2-3-14(10-16(12)18)20-17(22)21(15-4-5-15)11-13-6-8-19-9-7-13/h2-3,6-10,15H,4-5,11H2,1H3,(H,20,22).
What are the key properties of 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea?
1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 299.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 51080120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).