1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea

C16H16FN3O2 — CID 96999764

IUPAC1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)N[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-22-15-13(3-2-8-18-15)19-16(21)20-14-9-12(14)10-4-6-11(17)7-5-10/h2-8,12,14H,9H2,1H3,(H2,19,20,21)/t12-,14-/m0/s1
InChIKeyVSWLJWYQPNOZFW-JSGCOSHPSA-N
MW301.32 g/mol
LogP2.91
Rot. Bonds4

About 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea

1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 96999764) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID96999764
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)N[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-22-15-13(3-2-8-18-15)19-16(21)20-14-9-12(14)10-4-6-11(17)7-5-10/h2-8,12,14H,9H2,1H3,(H2,19,20,21)/t12-,14-/m0/s1
InChIKeyVSWLJWYQPNOZFW-JSGCOSHPSA-N
XLogP2.91
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 99839776
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea
CID 154755092
methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate
CID 71857049
N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307616
N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307617
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
1-(2-methoxy-3-pyridinyl)-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 94796982
1-(2-methoxy-3-pyridinyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030553
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea (CID 96999764) is 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea is COc1ncccc1NC(=O)N[C@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is VSWLJWYQPNOZFW-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-22-15-13(3-2-8-18-15)19-16(21)20-14-9-12(14)10-4-6-11(17)7-5-10/h2-8,12,14H,9H2,1H3,(H2,19,20,21)/t12-,14-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea?
1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 301.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 96999764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).