1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea

C21H19F2N3O2 — CID 20596509

IUPAC1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
SMILESCc1ccc(-c2nc(N(C(N)=O)c3c(F)cccc3F)ccc2CO)c(C)c1
InChIInChI=1S/C21H19F2N3O2/c1-12-6-8-15(13(2)10-12)19-14(11-27)7-9-18(25-19)26(21(24)28)20-16(22)4-3-5-17(20)23/h3-10,27H,11H2,1-2H3,(H2,24,28)
InChIKeyGPDAQBGRRPBDLY-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.35
Rot. Bonds4

About 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea

1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea (PubChem CID 20596509) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
PubChem CID20596509
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
SMILESCc1ccc(-c2nc(N(C(N)=O)c3c(F)cccc3F)ccc2CO)c(C)c1
InChIInChI=1S/C21H19F2N3O2/c1-12-6-8-15(13(2)10-12)19-14(11-27)7-9-18(25-19)26(21(24)28)20-16(22)4-3-5-17(20)23/h3-10,27H,11H2,1-2H3,(H2,24,28)
InChIKeyGPDAQBGRRPBDLY-UHFFFAOYSA-N
XLogP4.35
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 86691853
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl acetate
CID 9802905
1-(2,6-Difluorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
CID 9843199
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl carbamate
CID 9910762
1-(2,6-Difluorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea
CID 9952869
1-(2,6-Dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
CID 9953890
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(4-fluorophenyl)-3-pyridinyl]methyl (NE)-N-(dimethylaminomethylidene)carbamate
CID 10140124
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl N-(diaminomethylidene)carbamate
CID 10140408
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl (NE)-N-[1-(dimethylamino)ethylidene]carbamate
CID 10228945
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl (NE)-N-(dimethylaminomethylidene)carbamate
CID 10299995
5-(4-fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 14850557
1-(4-Fluorophenyl)-6-(hydroxymethyl)-7-propan-2-yl-1,8-naphthyridin-2-one
CID 19817638

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea (CID 20596509) is 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea is Cc1ccc(-c2nc(N(C(N)=O)c3c(F)cccc3F)ccc2CO)c(C)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The InChIKey is GPDAQBGRRPBDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-12-6-8-15(13(2)10-12)19-14(11-27)7-9-18(25-19)26(21(24)28)20-16(22)4-3-5-17(20)23/h3-10,27H,11H2,1-2H3,(H2,24,28).
What are the key properties of 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea has a molecular weight of 383.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea is sourced from PubChem (CID 20596509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).