1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea

C14H14F2N4O2 — CID 75508131

IUPAC1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C14H14F2N4O2/c15-11(16)9-22-13-3-1-2-12(19-13)20-14(21)18-8-10-4-6-17-7-5-10/h1-7,11H,8-9H2,(H2,18,19,20,21)
InChIKeyAHJRBEQVPSJMSD-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.44
Rot. Bonds6

About 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea

1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 75508131) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID75508131
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1cccc(OCC(F)F)n1
InChIInChI=1S/C14H14F2N4O2/c15-11(16)9-22-13-3-1-2-12(19-13)20-14(21)18-8-10-4-6-17-7-5-10/h1-7,11H,8-9H2,(H2,18,19,20,21)
InChIKeyAHJRBEQVPSJMSD-UHFFFAOYSA-N
XLogP2.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-5-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 118429886
methyl N-[4-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-4-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 118429834
1-[4-(2,6-Difluorophenoxy)-5-pyridin-2-yl-2-pyridinyl]-3-methylurea
CID 150436720
1-[4-(2,6-Difluorophenoxy)-5-pyridin-3-yl-2-pyridinyl]-3-methylurea
CID 155532809
1-[5-Cyclopropyl-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155558714
US10155760, Example 220
CID 118429773
US10155760, Example 196
CID 118429804
1-[4-(2-Fluoro-3-pyridinyl)-2-pyridinyl]-3-[(4-methoxyphenyl)methyl]urea
CID 56678997
1-[3-[(2-Ethyl-3-pyridinyl)oxy]-5-(3-methoxypropyl)-2-pyridinyl]-3-methylurea
CID 118722861
1-[4-(2,6-Difluorophenoxy)-5-methyl-2-pyridinyl]-3-methylurea
CID 155522913
1-[4-(2,6-Difluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155533510
1-[4-(2,6-Difluorophenoxy)-5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-methylurea
CID 155541450

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea (CID 75508131) is 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1cccc(OCC(F)F)n1.
What is the InChIKey of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is AHJRBEQVPSJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-11(16)9-22-13-3-1-2-12(19-13)20-14(21)18-8-10-4-6-17-7-5-10/h1-7,11H,8-9H2,(H2,18,19,20,21).
What are the key properties of 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea?
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 308.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 75508131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).