1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

C17H28N4O2 — CID 111504417

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCC(C)C(CCO)NC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H28N4O2/c1-13(2)15(6-10-22)20-17(23)19-12-14-5-7-18-16(11-14)21-8-3-4-9-21/h5,7,11,13,15,22H,3-4,6,8-10,12H2,1-2H3,(H2,19,20,23)
InChIKeyOJTIMGQEQFWJRY-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.89
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 111504417) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID111504417
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCC(C)C(CCO)NC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H28N4O2/c1-13(2)15(6-10-22)20-17(23)19-12-14-5-7-18-16(11-14)21-8-3-4-9-21/h5,7,11,13,15,22H,3-4,6,8-10,12H2,1-2H3,(H2,19,20,23)
InChIKeyOJTIMGQEQFWJRY-UHFFFAOYSA-N
XLogP1.89
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455369
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
1-(4-phenylbutan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 42954515
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
1-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 94030410
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110028346
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55922865
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111760424
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
(2S)-2-amino-3,3-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841552

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (CID 111504417) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is CC(C)C(CCO)NC(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is OJTIMGQEQFWJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)15(6-10-22)20-17(23)19-12-14-5-7-18-16(11-14)21-8-3-4-9-21/h5,7,11,13,15,22H,3-4,6,8-10,12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 320.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 111504417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).