1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea

C13H13FN4O — CID 146121634

IUPAC1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
SMILESCNc1ccc(NC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H13FN4O/c1-15-12-6-5-11(8-16-12)18-13(19)17-10-4-2-3-9(14)7-10/h2-8H,1H3,(H,15,16)(H2,17,18,19)
InChIKeyMECSUOJDFBPHJG-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.91
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea

1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea (PubChem CID 146121634) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
PubChem CID146121634
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
SMILESCNc1ccc(NC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H13FN4O/c1-15-12-6-5-11(8-16-12)18-13(19)17-10-4-2-3-9(14)7-10/h2-8H,1H3,(H,15,16)(H2,17,18,19)
InChIKeyMECSUOJDFBPHJG-UHFFFAOYSA-N
XLogP2.91
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-[6-(3-fluoroanilino)-3-pyridinyl]furan-2-carboxamide
CID 113021264
[6-(methylamino)-3-pyridinyl]urea
CID 130725566
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea (CID 146121634) is 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea is CNc1ccc(NC(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea?
The InChIKey is MECSUOJDFBPHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-15-12-6-5-11(8-16-12)18-13(19)17-10-4-2-3-9(14)7-10/h2-8H,1H3,(H,15,16)(H2,17,18,19).
What are the key properties of 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea?
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea has a molecular weight of 260.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea is sourced from PubChem (CID 146121634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).