[4-(3-pyridin-4-ylpropoxy)phenyl]urea

C15H17N3O2 — CID 143052287

IUPAC[4-(3-pyridin-4-ylpropoxy)phenyl]urea
SMILESNC(=O)Nc1ccc(OCCCc2ccncc2)cc1
InChIInChI=1S/C15H17N3O2/c16-15(19)18-13-3-5-14(6-4-13)20-11-1-2-12-7-9-17-10-8-12/h3-10H,1-2,11H2,(H3,16,18,19)
InChIKeyWYFBVEAWVSRARI-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.58
Rot. Bonds6

About [4-(3-pyridin-4-ylpropoxy)phenyl]urea

[4-(3-pyridin-4-ylpropoxy)phenyl]urea (PubChem CID 143052287) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-(3-pyridin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name[4-(3-pyridin-4-ylpropoxy)phenyl]urea
PubChem CID143052287
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[4-(3-pyridin-4-ylpropoxy)phenyl]urea
SMILESNC(=O)Nc1ccc(OCCCc2ccncc2)cc1
InChIInChI=1S/C15H17N3O2/c16-15(19)18-13-3-5-14(6-4-13)20-11-1-2-12-7-9-17-10-8-12/h3-10H,1-2,11H2,(H3,16,18,19)
InChIKeyWYFBVEAWVSRARI-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide
CID 91060090
N-[4-(2-methylsulfonylethoxy)phenyl]-3-pyridin-4-ylpropanamide
CID 126836477
N-(3,4-dimethylphenyl)-3-[4-(5-pyridin-4-ylpentoxy)phenyl]propanamide
CID 142185277
N-[4-(2-aminoethoxy)phenyl]pyridine-4-carboxamide
CID 43175490
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
3-pyridin-4-ylpropyl 4-ethoxybenzoate
CID 134050749
[4-[(3S)-3-chloro-3-hydroxypropoxy]phenyl]urea
CID 174710943
3-(4-butoxyphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085289
2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide
CID 146333511
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438

Frequently Asked Questions

What is the IUPAC name of [4-(3-pyridin-4-ylpropoxy)phenyl]urea?
The IUPAC name of [4-(3-pyridin-4-ylpropoxy)phenyl]urea (CID 143052287) is [4-(3-pyridin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for [4-(3-pyridin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for [4-(3-pyridin-4-ylpropoxy)phenyl]urea is NC(=O)Nc1ccc(OCCCc2ccncc2)cc1.
What is the InChIKey of [4-(3-pyridin-4-ylpropoxy)phenyl]urea?
The InChIKey is WYFBVEAWVSRARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15(19)18-13-3-5-14(6-4-13)20-11-1-2-12-7-9-17-10-8-12/h3-10H,1-2,11H2,(H3,16,18,19).
What are the key properties of [4-(3-pyridin-4-ylpropoxy)phenyl]urea?
[4-(3-pyridin-4-ylpropoxy)phenyl]urea has a molecular weight of 271.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pyridin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 143052287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).