1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea

C17H28N4O3 — CID 95772217

IUPAC1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea
SMILESCC[C@H](CN1CCCC1)NC(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C17H28N4O3/c1-3-14(13-21-8-4-5-9-21)19-17(22)20-15-6-7-16(18-12-15)24-11-10-23-2/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyHKPSAKMCADUXIJ-CQSZACIVSA-N
MW336.44 g/mol
LogP2.10
Rot. Bonds9

About 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea

1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea (PubChem CID 95772217) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea
PubChem CID95772217
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea
SMILESCC[C@H](CN1CCCC1)NC(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C17H28N4O3/c1-3-14(13-21-8-4-5-9-21)19-17(22)20-15-6-7-16(18-12-15)24-11-10-23-2/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyHKPSAKMCADUXIJ-CQSZACIVSA-N
XLogP2.10
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 94683249
2-(butan-2-ylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 60853381
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 99621153
1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 52910218
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47050040
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
CID 55743469
4-[(4-chlorophenyl)methyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 55743349
(3S)-3-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1,3-dicarboxamide
CID 95158166
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea?
The IUPAC name of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea (CID 95772217) is 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea.
What is the SMILES notation for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea?
The canonical SMILES for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea is CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(OCCOC)nc1.
What is the InChIKey of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea?
The InChIKey is HKPSAKMCADUXIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-14(13-21-8-4-5-9-21)19-17(22)20-15-6-7-16(18-12-15)24-11-10-23-2/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H2,19,20,22)/t14-/m1/s1.
What are the key properties of 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea?
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea has a molecular weight of 336.44 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]urea is sourced from PubChem (CID 95772217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).