1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea

C21H25N3O2 — CID 166217162

IUPAC1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(Oc2ccccc2)c1)NCC(C1CC1)C1CC1
InChIInChI=1S/C21H25N3O2/c25-21(24-14-19(16-6-7-16)17-8-9-17)23-13-15-10-11-22-20(12-15)26-18-4-2-1-3-5-18/h1-5,10-12,16-17,19H,6-9,13-14H2,(H2,23,24,25)
InChIKeyUMXRLJLKYFJAMO-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.11
Rot. Bonds8

About 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea

1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea (PubChem CID 166217162) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea
PubChem CID166217162
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(Oc2ccccc2)c1)NCC(C1CC1)C1CC1
InChIInChI=1S/C21H25N3O2/c25-21(24-14-19(16-6-7-16)17-8-9-17)23-13-15-10-11-22-20(12-15)26-18-4-2-1-3-5-18/h1-5,10-12,16-17,19H,6-9,13-14H2,(H2,23,24,25)
InChIKeyUMXRLJLKYFJAMO-UHFFFAOYSA-N
XLogP4.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[(2-phenoxy-4-pyridinyl)methyl]-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 168955772
1-methyl-2-oxo-N-[(2-phenoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 75461152
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
1-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]urea
CID 86998881
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977242
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
2-(cyclopropylmethylamino)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 119847908
N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
CID 62296638
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[(2-phenyloxan-3-yl)methyl]urea
CID 86844010

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea (CID 166217162) is 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(Oc2ccccc2)c1)NCC(C1CC1)C1CC1.
What is the InChIKey of 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea?
The InChIKey is UMXRLJLKYFJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(24-14-19(16-6-7-16)17-8-9-17)23-13-15-10-11-22-20(12-15)26-18-4-2-1-3-5-18/h1-5,10-12,16-17,19H,6-9,13-14H2,(H2,23,24,25).
What are the key properties of 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea?
1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea has a molecular weight of 351.45 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dicyclopropylethyl)-3-[(2-phenoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 166217162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).