1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea

C18H21FN4O — CID 95336201

IUPAC1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CCc2ccncc2)C1
InChIInChI=1S/C18H21FN4O/c19-15-1-3-16(4-2-15)21-18(24)22-17-8-12-23(13-17)11-7-14-5-9-20-10-6-14/h1-6,9-10,17H,7-8,11-13H2,(H2,21,22,24)/t17-/m1/s1
InChIKeyVCHLHCRTZCFFFY-QGZVFWFLSA-N
MW328.39 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea

1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea (PubChem CID 95336201) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
PubChem CID95336201
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CCc2ccncc2)C1
InChIInChI=1S/C18H21FN4O/c19-15-1-3-16(4-2-15)21-18(24)22-17-8-12-23(13-17)11-7-14-5-9-20-10-6-14/h1-6,9-10,17H,7-8,11-13H2,(H2,21,22,24)/t17-/m1/s1
InChIKeyVCHLHCRTZCFFFY-QGZVFWFLSA-N
XLogP2.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 95296194
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CID 47049584
1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
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(3S)-3-[(4-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95155477
1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 110922221
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 75515961
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 51105910
1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049667
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 120751537
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-pyridin-4-ylurea
CID 75475624

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea (CID 95336201) is 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea is O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CCc2ccncc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea?
The InChIKey is VCHLHCRTZCFFFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-1-3-16(4-2-15)21-18(24)22-17-8-12-23(13-17)11-7-14-5-9-20-10-6-14/h1-6,9-10,17H,7-8,11-13H2,(H2,21,22,24)/t17-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea?
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea has a molecular weight of 328.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 95336201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).