3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea

C13H13FN4O — CID 75522482

IUPAC3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea
SMILESCN(Cc1cccnc1)C(=O)Nc1ccncc1F
InChIInChI=1S/C13H13FN4O/c1-18(9-10-3-2-5-15-7-10)13(19)17-12-4-6-16-8-11(12)14/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyUXRUGMMUEZZAKK-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.28
Rot. Bonds3

About 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea

3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 75522482) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea
PubChem CID75522482
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea
SMILESCN(Cc1cccnc1)C(=O)Nc1ccncc1F
InChIInChI=1S/C13H13FN4O/c1-18(9-10-3-2-5-15-7-10)13(19)17-12-4-6-16-8-11(12)14/h2-8H,9H2,1H3,(H,16,17,19)
InChIKeyUXRUGMMUEZZAKK-UHFFFAOYSA-N
XLogP2.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 853873
CID 853873
CID 4074688
CID 4074688
CID 650313
CID 650313
CID 1082704
CID 1082704
CID 853670
CID 853670
CID 290474
CID 290474
CID 4677493
CID 4677493
CID 17262955
CID 17262955
CID 306456
CID 306456
CID 701006
CID 701006
CID 6469540
CID 6469540
CID 3099034
CID 3099034

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea (CID 75522482) is 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea is CN(Cc1cccnc1)C(=O)Nc1ccncc1F.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is UXRUGMMUEZZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-18(9-10-3-2-5-15-7-10)13(19)17-12-4-6-16-8-11(12)14/h2-8H,9H2,1H3,(H,16,17,19).
What are the key properties of 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea?
3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 260.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-1-methyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 75522482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).