1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C17H22N4O2 — CID 53499688

IUPAC1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCCN(Cc1ccco1)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H22N4O2/c1-2-20(13-15-6-5-11-23-15)17(22)19-14-7-8-16(18-12-14)21-9-3-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,22)
InChIKeyQGUIDEPSGOWGSD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.33
Rot. Bonds5

About 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 53499688) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID53499688
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESCCN(Cc1ccco1)C(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C17H22N4O2/c1-2-20(13-15-6-5-11-23-15)17(22)19-14-7-8-16(18-12-14)21-9-3-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,22)
InChIKeyQGUIDEPSGOWGSD-UHFFFAOYSA-N
XLogP3.33
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-(furan-2-ylmethyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 38285701
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
1-ethyl-1-[[(3R)-oxolan-3-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 94176691
5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158037
1-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 42857815
1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040367
N-[6-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 46053995
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 53499688) is 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is CCN(Cc1ccco1)C(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is QGUIDEPSGOWGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-20(13-15-6-5-11-23-15)17(22)19-14-7-8-16(18-12-14)21-9-3-4-10-21/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,19,22).
What are the key properties of 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 314.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 53499688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).