1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C18H21FN4O2 — CID 75448750

IUPAC1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(NC1CCN(c2ncccc2F)C1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H21FN4O2/c19-15-7-4-9-20-17(15)23-10-8-14(11-23)21-18(25)22-16(12-24)13-5-2-1-3-6-13/h1-7,9,14,16,24H,8,10-12H2,(H2,21,22,25)/t14?,16-/m1/s1
InChIKeySONZYVYVGXJTQR-BZSJEYESSA-N
MW344.39 g/mol
LogP1.83
Rot. Bonds5

About 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 75448750) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID75448750
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(NC1CCN(c2ncccc2F)C1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H21FN4O2/c19-15-7-4-9-20-17(15)23-10-8-14(11-23)21-18(25)22-16(12-24)13-5-2-1-3-6-13/h1-7,9,14,16,24H,8,10-12H2,(H2,21,22,25)/t14?,16-/m1/s1
InChIKeySONZYVYVGXJTQR-BZSJEYESSA-N
XLogP1.83
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106612
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(R)-1H-imidazol-2-yl(phenyl)methyl]pyrrolidin-3-amine
CID 99620171
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
1-cyclopent-3-en-1-yl-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75483809
2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 126776040
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea
CID 167977556
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 75448750) is 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is O=C(NC1CCN(c2ncccc2F)C1)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is SONZYVYVGXJTQR-BZSJEYESSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-7-4-9-20-17(15)23-10-8-14(11-23)21-18(25)22-16(12-24)13-5-2-1-3-6-13/h1-7,9,14,16,24H,8,10-12H2,(H2,21,22,25)/t14?,16-/m1/s1.
What are the key properties of 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 344.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 75448750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).