1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea

C15H15F2N3O2 — CID 95975263

IUPAC1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea
SMILESCc1cc(=O)[nH]cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O2/c1-8-5-14(21)18-7-13(8)20-15(22)19-9(2)10-3-4-11(16)12(17)6-10/h3-7,9H,1-2H3,(H,18,21)(H2,19,20,22)/t9-/m1/s1
InChIKeyLVNIEPRBAIVRAW-SECBINFHSA-N
MW307.30 g/mol
LogP2.84
Rot. Bonds3

About 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea

1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea (PubChem CID 95975263) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea
PubChem CID95975263
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea
SMILESCc1cc(=O)[nH]cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2N3O2/c1-8-5-14(21)18-7-13(8)20-15(22)19-9(2)10-3-4-11(16)12(17)6-10/h3-7,9H,1-2H3,(H,18,21)(H2,19,20,22)/t9-/m1/s1
InChIKeyLVNIEPRBAIVRAW-SECBINFHSA-N
XLogP2.84
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea?
The IUPAC name of 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea (CID 95975263) is 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea?
The canonical SMILES for 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea is Cc1cc(=O)[nH]cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea?
The InChIKey is LVNIEPRBAIVRAW-SECBINFHSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-8-5-14(21)18-7-13(8)20-15(22)19-9(2)10-3-4-11(16)12(17)6-10/h3-7,9H,1-2H3,(H,18,21)(H2,19,20,22)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea?
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea has a molecular weight of 307.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methyl-6-oxo-1H-pyridin-3-yl)urea is sourced from PubChem (CID 95975263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).