1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea

C11H16N4O — CID 117235346

IUPAC1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCC1CCNC1)Nc1ccccn1
InChIInChI=1S/C11H16N4O/c16-11(14-8-9-4-6-12-7-9)15-10-3-1-2-5-13-10/h1-3,5,9,12H,4,6-8H2,(H2,13,14,15,16)
InChIKeyQBISMPQTFGGEIP-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.81
Rot. Bonds3

About 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea

1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea (PubChem CID 117235346) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
PubChem CID117235346
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCC1CCNC1)Nc1ccccn1
InChIInChI=1S/C11H16N4O/c16-11(14-8-9-4-6-12-7-9)15-10-3-1-2-5-13-10/h1-3,5,9,12H,4,6-8H2,(H2,13,14,15,16)
InChIKeyQBISMPQTFGGEIP-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235769
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165705
2-piperidin-4-yl-N-pyridin-2-ylacetamide;dihydrochloride
CID 119827189
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
1-(4-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563054
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea
CID 95146009
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea?
The IUPAC name of 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea (CID 117235346) is 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea.
What is the SMILES notation for 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea?
The canonical SMILES for 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea is O=C(NCC1CCNC1)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea?
The InChIKey is QBISMPQTFGGEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11(14-8-9-4-6-12-7-9)15-10-3-1-2-5-13-10/h1-3,5,9,12H,4,6-8H2,(H2,13,14,15,16).
What are the key properties of 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea?
1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea has a molecular weight of 220.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-(pyrrolidin-3-ylmethyl)urea is sourced from PubChem (CID 117235346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).