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

C15H24N4O2 — CID 110892395

IUPAC1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H24N4O2/c1-2-13(11-20)18-15(21)17-10-12-5-6-14(16-9-12)19-7-3-4-8-19/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H2,17,18,21)
InChIKeyVSJVAHKLMANTTG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.25
Rot. Bonds6

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

1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 110892395) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID110892395
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H24N4O2/c1-2-13(11-20)18-15(21)17-10-12-5-6-14(16-9-12)19-7-3-4-8-19/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H2,17,18,21)
InChIKeyVSJVAHKLMANTTG-UHFFFAOYSA-N
XLogP1.25
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55738522
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94029232
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94196829
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94173510
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(2S)-2-cyclopropyl-2-hydroxyethyl]urea
CID 97310846
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455369
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 110892395) is 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is CCC(CO)NC(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is VSJVAHKLMANTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-13(11-20)18-15(21)17-10-12-5-6-14(16-9-12)19-7-3-4-8-19/h5-6,9,13,20H,2-4,7-8,10-11H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.25, 6 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)methyl]urea is sourced from PubChem (CID 110892395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).