3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea

C19H33N3O3 — CID 95772256

IUPAC3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccc(OCCOC)nc1)[C@@H](C)CCC
InChIInChI=1S/C19H33N3O3/c1-5-7-8-12-22(16(3)9-6-2)19(23)21-17-10-11-18(20-15-17)25-14-13-24-4/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyOYHVOWRJOWXGEY-INIZCTEOSA-N
MW351.49 g/mol
LogP4.32
Rot. Bonds12

About 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea

3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea (PubChem CID 95772256) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea.

Molecular Properties

Compound Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea
PubChem CID95772256
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccc(OCCOC)nc1)[C@@H](C)CCC
InChIInChI=1S/C19H33N3O3/c1-5-7-8-12-22(16(3)9-6-2)19(23)21-17-10-11-18(20-15-17)25-14-13-24-4/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,21,23)/t16-/m0/s1
InChIKeyOYHVOWRJOWXGEY-INIZCTEOSA-N
XLogP4.32
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
CID 43688384
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61186550
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
(2R)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylhexanamide
CID 100774730
2-(butan-2-ylamino)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 60853381
3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55743219
1-(6-butoxy-3-pyridinyl)-3-methylurea
CID 134123210
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,4-dimethyl-2-propoxypentanamide
CID 133205857
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea?
The IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea (CID 95772256) is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea.
What is the SMILES notation for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea?
The canonical SMILES for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea is CCCCCN(C(=O)Nc1ccc(OCCOC)nc1)[C@@H](C)CCC.
What is the InChIKey of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea?
The InChIKey is OYHVOWRJOWXGEY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-5-7-8-12-22(16(3)9-6-2)19(23)21-17-10-11-18(20-15-17)25-14-13-24-4/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea?
3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea has a molecular weight of 351.49 g/mol, XLogP of 4.32, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(2S)-pentan-2-yl]-1-pentylurea is sourced from PubChem (CID 95772256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).