1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea

C11H16N4O — CID 86276993

IUPAC1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
SMILESO=C(NCc1ccncc1)N[C@@H]1CCNC1
InChIInChI=1S/C11H16N4O/c16-11(15-10-3-6-13-8-10)14-7-9-1-4-12-5-2-9/h1-2,4-5,10,13H,3,6-8H2,(H2,14,15,16)/t10-/m1/s1
InChIKeyJTPWKGPAMIIFMT-SNVBAGLBSA-N
MW220.28 g/mol
LogP0.24
Rot. Bonds3

About 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea

1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea (PubChem CID 86276993) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
PubChem CID86276993
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea
SMILESO=C(NCc1ccncc1)N[C@@H]1CCNC1
InChIInChI=1S/C11H16N4O/c16-11(15-10-3-6-13-8-10)14-7-9-1-4-12-5-2-9/h1-2,4-5,10,13H,3,6-8H2,(H2,14,15,16)/t10-/m1/s1
InChIKeyJTPWKGPAMIIFMT-SNVBAGLBSA-N
XLogP0.24
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
CID 72561982
1-(1-methylsulfonylpiperidin-4-yl)-3-(pyridin-4-ylmethyl)urea
CID 110706203
1-[(2-fluorophenyl)methyl]-3-pyrrolidin-3-ylurea
CID 117235493
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea?
The IUPAC name of 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea (CID 86276993) is 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea is O=C(NCc1ccncc1)N[C@@H]1CCNC1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea?
The InChIKey is JTPWKGPAMIIFMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(15-10-3-6-13-8-10)14-7-9-1-4-12-5-2-9/h1-2,4-5,10,13H,3,6-8H2,(H2,14,15,16)/t10-/m1/s1.
What are the key properties of 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea?
1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea has a molecular weight of 220.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-3-[(3R)-pyrrolidin-3-yl]urea is sourced from PubChem (CID 86276993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).