1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea

C12H11FN4O — CID 18682339

IUPAC1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ncccc2F)nc1
InChIInChI=1S/C12H11FN4O/c1-8-4-5-10(15-7-8)16-12(18)17-11-9(13)3-2-6-14-11/h2-7H,1H3,(H2,14,15,16,17,18)
InChIKeyZJESDMMZAJVXES-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.57
Rot. Bonds2

About 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea

1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 18682339) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID18682339
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ncccc2F)nc1
InChIInChI=1S/C12H11FN4O/c1-8-4-5-10(15-7-8)16-12(18)17-11-9(13)3-2-6-14-11/h2-7H,1H3,(H2,14,15,16,17,18)
InChIKeyZJESDMMZAJVXES-UHFFFAOYSA-N
XLogP2.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 52714969
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
N-(3-fluoro-2-pyridinyl)propanamide
CID 130249129
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
1-(2-chloro-4-methylphenyl)-3-phenylurea;1-(2-chloro-3-pyridinyl)-3-(2,4-dimethylphenyl)urea;1-(2-fluorophenyl)-3-(4-methylphenyl)urea;1-(3-fluoro-2-pyridinyl)-3-(4-methylphenyl)urea;1-(2-methoxy-4-methylphenyl)-3-(2-methylphenyl)urea;bis(1-(2-methoxyphenyl)-3-(5-methyl-2-pyridinyl)urea);1-(2-methylphenyl)-3-(5-methyl-2-pyridinyl)urea;1-(4-methylphenyl)-3-phenylurea;1-(4-methylphenyl)-3-pyridin-2-ylurea
CID 157168143
1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
CID 166404732
2,3-difluoro-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105380291
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108878565
1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915269
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea (CID 18682339) is 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ncccc2F)nc1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is ZJESDMMZAJVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-8-4-5-10(15-7-8)16-12(18)17-11-9(13)3-2-6-14-11/h2-7H,1H3,(H2,14,15,16,17,18).
What are the key properties of 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea?
1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 246.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 18682339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).