1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea

C21H24N4O3 — CID 118770523

IUPAC1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1cc2cc(NC(=O)NCC(c3cccnc3)N3CCOCC3)ccc2o1
InChIInChI=1S/C21H24N4O3/c1-15-11-17-12-18(4-5-20(17)28-15)24-21(26)23-14-19(16-3-2-6-22-13-16)25-7-9-27-10-8-25/h2-6,11-13,19H,7-10,14H2,1H3,(H2,23,24,26)
InChIKeyWRALQDWHGVSQCK-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea

1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea (PubChem CID 118770523) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
PubChem CID118770523
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea
SMILESCc1cc2cc(NC(=O)NCC(c3cccnc3)N3CCOCC3)ccc2o1
InChIInChI=1S/C21H24N4O3/c1-15-11-17-12-18(4-5-20(17)28-15)24-21(26)23-14-19(16-3-2-6-22-13-16)25-7-9-27-10-8-25/h2-6,11-13,19H,7-10,14H2,1H3,(H2,23,24,26)
InChIKeyWRALQDWHGVSQCK-UHFFFAOYSA-N
XLogP3.33
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea with MolForge

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Related Compounds

methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 166401105
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
3-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 131895533
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea (CID 118770523) is 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea is Cc1cc2cc(NC(=O)NCC(c3cccnc3)N3CCOCC3)ccc2o1.
What is the InChIKey of 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
The InChIKey is WRALQDWHGVSQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-11-17-12-18(4-5-20(17)28-15)24-21(26)23-14-19(16-3-2-6-22-13-16)25-7-9-27-10-8-25/h2-6,11-13,19H,7-10,14H2,1H3,(H2,23,24,26).
What are the key properties of 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea?
1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea has a molecular weight of 380.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-benzofuran-5-yl)-3-(2-morpholin-4-yl-2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 118770523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).