1-(2-phenoxy-3-pyridinyl)-3-propylurea

C15H17N3O2 — CID 47041336

IUPAC1-(2-phenoxy-3-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-10-17-15(19)18-13-9-6-11-16-14(13)20-12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3,(H2,17,18,19)
InChIKeyPLOOHAGEULEXEP-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-phenoxy-3-pyridinyl)-3-propylurea

1-(2-phenoxy-3-pyridinyl)-3-propylurea (PubChem CID 47041336) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-phenoxy-3-pyridinyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-phenoxy-3-pyridinyl)-3-propylurea
PubChem CID47041336
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2-phenoxy-3-pyridinyl)-3-propylurea
SMILESCCCNC(=O)Nc1cccnc1Oc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-2-10-17-15(19)18-13-9-6-11-16-14(13)20-12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3,(H2,17,18,19)
InChIKeyPLOOHAGEULEXEP-UHFFFAOYSA-N
XLogP3.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041319
1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
CID 53185078
1-(furan-2-ylmethyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041330
1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenoxy-3-pyridinyl)urea
CID 51953485
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(2-phenoxy-3-pyridinyl)carbamoylamino]propanamide
CID 52511996
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxy-3-pyridinyl)-3-propylurea?
The IUPAC name of 1-(2-phenoxy-3-pyridinyl)-3-propylurea (CID 47041336) is 1-(2-phenoxy-3-pyridinyl)-3-propylurea.
What is the SMILES notation for 1-(2-phenoxy-3-pyridinyl)-3-propylurea?
The canonical SMILES for 1-(2-phenoxy-3-pyridinyl)-3-propylurea is CCCNC(=O)Nc1cccnc1Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxy-3-pyridinyl)-3-propylurea?
The InChIKey is PLOOHAGEULEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-10-17-15(19)18-13-9-6-11-16-14(13)20-12-7-4-3-5-8-12/h3-9,11H,2,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-phenoxy-3-pyridinyl)-3-propylurea?
1-(2-phenoxy-3-pyridinyl)-3-propylurea has a molecular weight of 271.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxy-3-pyridinyl)-3-propylurea is sourced from PubChem (CID 47041336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).