1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

C20H27N5O3 — CID 47050040

IUPAC1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESCOCCOc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C20H27N5O3/c1-27-12-13-28-19-3-2-18(14-22-19)24-20(26)23-17-6-10-25(11-7-17)15-16-4-8-21-9-5-16/h2-5,8-9,14,17H,6-7,10-13,15H2,1H3,(H2,23,24,26)
InChIKeyFQZAQLMOKIFEGG-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.29
Rot. Bonds8

About 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (PubChem CID 47050040) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
PubChem CID47050040
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
SMILESCOCCOc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cn1
InChIInChI=1S/C20H27N5O3/c1-27-12-13-28-19-3-2-18(14-22-19)24-20(26)23-17-6-10-25(11-7-17)15-16-4-8-21-9-5-16/h2-5,8-9,14,17H,6-7,10-13,15H2,1H3,(H2,23,24,26)
InChIKeyFQZAQLMOKIFEGG-UHFFFAOYSA-N
XLogP2.29
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
1-[4-(difluoromethoxy)phenyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049667
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
4-[(4-chlorophenyl)methyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 55743349
1-naphthalen-1-yl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049579
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 81228254
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea (CID 47050040) is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is COCCOc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cn1.
What is the InChIKey of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
The InChIKey is FQZAQLMOKIFEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-27-12-13-28-19-3-2-18(14-22-19)24-20(26)23-17-6-10-25(11-7-17)15-16-4-8-21-9-5-16/h2-5,8-9,14,17H,6-7,10-13,15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea?
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea has a molecular weight of 385.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 47050040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).