1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea

C19H23N3O3 — CID 146107558

IUPAC1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
SMILESCOc1cccc(NC(=O)NC(CC2CCOC2)c2ccccc2)n1
InChIInChI=1S/C19H23N3O3/c1-24-18-9-5-8-17(21-18)22-19(23)20-16(12-14-10-11-25-13-14)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H2,20,21,22,23)
InChIKeyBKGMIOODRJRNCA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.38
Rot. Bonds6

About 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea

1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea (PubChem CID 146107558) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
PubChem CID146107558
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
SMILESCOc1cccc(NC(=O)NC(CC2CCOC2)c2ccccc2)n1
InChIInChI=1S/C19H23N3O3/c1-24-18-9-5-8-17(21-18)22-19(23)20-16(12-14-10-11-25-13-14)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H2,20,21,22,23)
InChIKeyBKGMIOODRJRNCA-UHFFFAOYSA-N
XLogP3.38
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-methoxy-3-pyridinyl)ethyl]-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146102321
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
CID 124624923
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
CID 97241109
1-(1-hydroxy-2-methylpentan-2-yl)-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028480
1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028474
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
CID 97334715
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
CID 133413518

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea (CID 146107558) is 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea is COc1cccc(NC(=O)NC(CC2CCOC2)c2ccccc2)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
The InChIKey is BKGMIOODRJRNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-18-9-5-8-17(21-18)22-19(23)20-16(12-14-10-11-25-13-14)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea?
1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea has a molecular weight of 341.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea is sourced from PubChem (CID 146107558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).