1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C14H22N4O2 — CID 47221122

IUPAC1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O2/c1-2-11(10-19)16-14(20)17-12-5-6-13(15-9-12)18-7-3-4-8-18/h5-6,9,11,19H,2-4,7-8,10H2,1H3,(H2,16,17,20)
InChIKeyJYAYZUUZNKJRIF-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.57
Rot. Bonds5

About 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 47221122) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID47221122
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCCC(CO)NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O2/c1-2-11(10-19)16-14(20)17-12-5-6-13(15-9-12)18-7-3-4-8-18/h5-6,9,11,19H,2-4,7-8,10H2,1H3,(H2,16,17,20)
InChIKeyJYAYZUUZNKJRIF-UHFFFAOYSA-N
XLogP1.57
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 47221122) is 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is CCC(CO)NC(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is JYAYZUUZNKJRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-11(10-19)16-14(20)17-12-5-6-13(15-9-12)18-7-3-4-8-18/h5-6,9,11,19H,2-4,7-8,10H2,1H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 278.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 47221122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).