1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

C17H26N4O2 — CID 111722528

IUPAC1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1cccnc1N1CCCC1)N(CCCCO)C1CC1
InChIInChI=1S/C17H26N4O2/c22-13-4-3-12-21(14-7-8-14)17(23)19-15-6-5-9-18-16(15)20-10-1-2-11-20/h5-6,9,14,22H,1-4,7-8,10-13H2,(H,19,23)
InChIKeyVVJULYLYIJRVSF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.45
Rot. Bonds7

About 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea

1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 111722528) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID111722528
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1cccnc1N1CCCC1)N(CCCCO)C1CC1
InChIInChI=1S/C17H26N4O2/c22-13-4-3-12-21(14-7-8-14)17(23)19-15-6-5-9-18-16(15)20-10-1-2-11-20/h5-6,9,14,22H,1-4,7-8,10-13H2,(H,19,23)
InChIKeyVVJULYLYIJRVSF-UHFFFAOYSA-N
XLogP2.45
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-(4-hydroxybutyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111722525
1-cyclopropyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(4-hydroxybutyl)urea
CID 111754705
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
4-hydroxy-2-(hydroxymethyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 75434904
(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 52510173
3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-(4-hydroxybutyl)urea
CID 111754289
1-cyclopropyl-1-(2-hydroxyethyl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 110890872
3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 75379285
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 111573124
(3S)-1-N-(2-piperidin-1-yl-3-pyridinyl)pyrrolidine-1,3-dicarboxamide
CID 95580121
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea (CID 111722528) is 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is O=C(Nc1cccnc1N1CCCC1)N(CCCCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is VVJULYLYIJRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-13-4-3-12-21(14-7-8-14)17(23)19-15-6-5-9-18-16(15)20-10-1-2-11-20/h5-6,9,14,22H,1-4,7-8,10-13H2,(H,19,23).
What are the key properties of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea?
1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 318.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 111722528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).