1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea

C22H21N3O2 — CID 168955772

IUPAC1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
SMILESO=C(NCc1ccnc(Oc2ccccc2)c1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-22(25-20-14-19(20)17-7-3-1-4-8-17)24-15-16-11-12-23-21(13-16)27-18-9-5-2-6-10-18/h1-13,19-20H,14-15H2,(H2,24,25,26)/t19-,20+/m0/s1
InChIKeyQCWBYVMEJOWCLC-VQTJNVASSA-N
MW359.43 g/mol
LogP4.23
Rot. Bonds6

About 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea

1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea (PubChem CID 168955772) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea.

Molecular Properties

Compound Name1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
PubChem CID168955772
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
SMILESO=C(NCc1ccnc(Oc2ccccc2)c1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-22(25-20-14-19(20)17-7-3-1-4-8-17)24-15-16-11-12-23-21(13-16)27-18-9-5-2-6-10-18/h1-13,19-20H,14-15H2,(H2,24,25,26)/t19-,20+/m0/s1
InChIKeyQCWBYVMEJOWCLC-VQTJNVASSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea with MolForge

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Related Compounds

1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168955827
1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea
CID 166217162
1-[(1R,2S)-2-phenylcyclopropyl]-3-[[2-[4-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]methyl]urea
CID 168955841
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 10086865
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 75461152
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-[(1S,2R)-2-hydroxycyclopentyl]urea
CID 168892641
1-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]urea
CID 86998881
N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
CID 62296638
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea?
The IUPAC name of 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea (CID 168955772) is 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea.
What is the SMILES notation for 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea?
The canonical SMILES for 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea is O=C(NCc1ccnc(Oc2ccccc2)c1)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea?
The InChIKey is QCWBYVMEJOWCLC-VQTJNVASSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(25-20-14-19(20)17-7-3-1-4-8-17)24-15-16-11-12-23-21(13-16)27-18-9-5-2-6-10-18/h1-13,19-20H,14-15H2,(H2,24,25,26)/t19-,20+/m0/s1.
What are the key properties of 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea?
1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea has a molecular weight of 359.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea is sourced from PubChem (CID 168955772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).