1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea

C20H23N3O4 — CID 38276842

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O4/c24-20(22-11-14-5-6-17-18(9-14)26-13-25-17)23-12-15-7-8-21-19(10-15)27-16-3-1-2-4-16/h5-10,16H,1-4,11-13H2,(H2,22,23,24)
InChIKeyMCHDNWIDEINECR-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.13
Rot. Bonds6

About 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea

1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea (PubChem CID 38276842) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
PubChem CID38276842
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O4/c24-20(22-11-14-5-6-17-18(9-14)26-13-25-17)23-12-15-7-8-21-19(10-15)27-16-3-1-2-4-16/h5-10,16H,1-4,11-13H2,(H2,22,23,24)
InChIKeyMCHDNWIDEINECR-UHFFFAOYSA-N
XLogP3.13
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55679093
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684140
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea
CID 124874996
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrazin-2-yloxypiperidine-1-carboxamide
CID 91627929
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821587
5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55842324
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261615

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea (CID 38276842) is 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(OC2CCCC2)c1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea?
The InChIKey is MCHDNWIDEINECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-20(22-11-14-5-6-17-18(9-14)26-13-25-17)23-12-15-7-8-21-19(10-15)27-16-3-1-2-4-16/h5-10,16H,1-4,11-13H2,(H2,22,23,24).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea?
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea has a molecular weight of 369.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 38276842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).