1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea

C13H17F2N3O3 — CID 168892641

IUPAC1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)c1)N[C@H]1CCC[C@H]1O
InChIInChI=1S/C13H17F2N3O3/c14-12(15)21-11-6-8(4-5-16-11)7-17-13(20)18-9-2-1-3-10(9)19/h4-6,9-10,12,19H,1-3,7H2,(H2,17,18,20)/t9-,10+/m0/s1
InChIKeyDMMVHMNUJWQCCJ-VHSXEESVSA-N
MW301.29 g/mol
LogP1.40
Rot. Bonds5

About 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea

1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea (PubChem CID 168892641) has the molecular formula C13H17F2N3O3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
PubChem CID168892641
Molecular FormulaC13H17F2N3O3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)c1)N[C@H]1CCC[C@H]1O
InChIInChI=1S/C13H17F2N3O3/c14-12(15)21-11-6-8(4-5-16-11)7-17-13(20)18-9-2-1-3-10(9)19/h4-6,9-10,12,19H,1-3,7H2,(H2,17,18,20)/t9-,10+/m0/s1
InChIKeyDMMVHMNUJWQCCJ-VHSXEESVSA-N
XLogP1.40
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;difluoromethane;molecular hydrogen
CID 168892522
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,5R,6R)-7-oxo-6-bicyclo[3.2.0]heptanyl]urea
CID 168892244
1-[(1S,5S)-2-bicyclo[3.2.0]heptanyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;molecular hydrogen
CID 168892249
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[3-(difluoromethyl)cyclobutyl]urea
CID 168892367
1-[(1R)-3,3-difluorocyclohexyl]-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea
CID 168892590
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-spiro[3.4]octan-7-ylurea
CID 168891882
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethynylcyclobutyl)urea
CID 168892654
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3,3-dimethylcyclobutyl)urea;molecular hydrogen
CID 168892298
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-(3-ethylcyclobutyl)urea
CID 168892460
1-cyclopentyl-3-[[2-(difluoromethoxy)-4-pyridinyl]methyl]urea;1,1-difluoropropan-1-ol;ethane;molecular hydrogen
CID 168892336
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(3-fluoro-1-bicyclo[2.1.0]pentanyl)methyl]urea
CID 168892300

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea?
The IUPAC name of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea (CID 168892641) is 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea is O=C(NCc1ccnc(OC(F)F)c1)N[C@H]1CCC[C@H]1O.
What is the InChIKey of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea?
The InChIKey is DMMVHMNUJWQCCJ-VHSXEESVSA-N. The full InChI is InChI=1S/C13H17F2N3O3/c14-12(15)21-11-6-8(4-5-16-11)7-17-13(20)18-9-2-1-3-10(9)19/h4-6,9-10,12,19H,1-3,7H2,(H2,17,18,20)/t9-,10+/m0/s1.
What are the key properties of 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea?
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea has a molecular weight of 301.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea is sourced from PubChem (CID 168892641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).