1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea

C19H25N3O3 — CID 52627553

IUPAC1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1
InChIInChI=1S/C19H25N3O3/c1-4-5-6-11-20-19(23)22-15-8-10-18(21-13-15)25-16-9-7-14(2)12-17(16)24-3/h7-10,12-13H,4-6,11H2,1-3H3,(H2,20,22,23)
InChIKeyLLIDQYXTJLTNIC-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.50
Rot. Bonds8

About 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea

1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea (PubChem CID 52627553) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea.

Molecular Properties

Compound Name1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
PubChem CID52627553
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1
InChIInChI=1S/C19H25N3O3/c1-4-5-6-11-20-19(23)22-15-8-10-18(21-13-15)25-16-9-7-14(2)12-17(16)24-3/h7-10,12-13H,4-6,11H2,1-3H3,(H2,20,22,23)
InChIKeyLLIDQYXTJLTNIC-UHFFFAOYSA-N
XLogP4.50
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
CID 55743312
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55743504
4-bromo-N-[3-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-3-oxopropyl]benzamide
CID 55675161
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
CID 86994420
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55677621
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
2-(2,4-dimethylquinolin-3-yl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 36551375
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 166204034

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea?
The IUPAC name of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea (CID 52627553) is 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea.
What is the SMILES notation for 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea?
The canonical SMILES for 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea is CCCCCNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1.
What is the InChIKey of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea?
The InChIKey is LLIDQYXTJLTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-5-6-11-20-19(23)22-15-8-10-18(21-13-15)25-16-9-7-14(2)12-17(16)24-3/h7-10,12-13H,4-6,11H2,1-3H3,(H2,20,22,23).
What are the key properties of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea?
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea has a molecular weight of 343.43 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea is sourced from PubChem (CID 52627553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).