1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea

C13H15N3O2 — CID 62699691

IUPAC1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(C#CCCO)n1)NC1CC1
InChIInChI=1S/C13H15N3O2/c17-9-2-1-4-10-5-3-6-12(14-10)16-13(18)15-11-7-8-11/h3,5-6,11,17H,2,7-9H2,(H2,14,15,16,18)
InChIKeyFKYVHVGHAYKFQQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.10
Rot. Bonds3

About 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea

1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea (PubChem CID 62699691) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
PubChem CID62699691
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea
SMILESO=C(Nc1cccc(C#CCCO)n1)NC1CC1
InChIInChI=1S/C13H15N3O2/c17-9-2-1-4-10-5-3-6-12(14-10)16-13(18)15-11-7-8-11/h3,5-6,11,17H,2,7-9H2,(H2,14,15,16,18)
InChIKeyFKYVHVGHAYKFQQ-UHFFFAOYSA-N
XLogP1.10
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 83137597
1-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-3-propan-2-ylurea
CID 60812722
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60803894
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]piperidine-1-carboxamide
CID 79155648
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79157673
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 106828195
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
5-chloro-N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 60804070
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 103121241
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60803551
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 60814440

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea (CID 62699691) is 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea is O=C(Nc1cccc(C#CCCO)n1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea?
The InChIKey is FKYVHVGHAYKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-9-2-1-4-10-5-3-6-12(14-10)16-13(18)15-11-7-8-11/h3,5-6,11,17H,2,7-9H2,(H2,14,15,16,18).
What are the key properties of 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea?
1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea has a molecular weight of 245.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]urea is sourced from PubChem (CID 62699691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).