1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea

C17H20FN3O2 — CID 126824169

IUPAC1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea
SMILESCC(C)(CO)C(NC(=O)Nc1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C17H20FN3O2/c1-17(2,11-22)15(12-6-4-3-5-7-12)21-16(23)20-14-9-8-13(18)10-19-14/h3-10,15,22H,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyKLUHNPZWKUGPNR-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.10
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea

1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea (PubChem CID 126824169) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea
PubChem CID126824169
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea
SMILESCC(C)(CO)C(NC(=O)Nc1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C17H20FN3O2/c1-17(2,11-22)15(12-6-4-3-5-7-12)21-16(23)20-14-9-8-13(18)10-19-14/h3-10,15,22H,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyKLUHNPZWKUGPNR-UHFFFAOYSA-N
XLogP3.10
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99599475
1-(5-fluoro-2-pyridinyl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 154760224
1-(5-fluoro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 65482274
1-[(1R)-2,2-dimethyl-1-phenylpropyl]-3-[3-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118184014
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
1-(5-amino-4-methanimidoyl-2-pyridinyl)-3-(2-hydroxy-2-methyl-1-phenylpropyl)urea
CID 146229631
5-fluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 62305917
2,2-difluoroethyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395281
2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol
CID 131123311
methyl N-[6-[[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395286
1-[(1S)-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylurea
CID 52521709
3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
CID 120502701

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea (CID 126824169) is 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea is CC(C)(CO)C(NC(=O)Nc1ccc(F)cn1)c1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea?
The InChIKey is KLUHNPZWKUGPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-17(2,11-22)15(12-6-4-3-5-7-12)21-16(23)20-14-9-8-13(18)10-19-14/h3-10,15,22H,11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea?
1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea has a molecular weight of 317.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(3-hydroxy-2,2-dimethyl-1-phenylpropyl)urea is sourced from PubChem (CID 126824169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).