1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea

C18H28N4O3 — CID 136534293

IUPAC1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
SMILESO=C(NCCN1CCCOCC1)Nc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C18H28N4O3/c23-18(19-8-10-22-9-3-12-24-13-11-22)21-15-6-7-17(20-14-15)25-16-4-1-2-5-16/h6-7,14,16H,1-5,8-13H2,(H2,19,21,23)
InChIKeyCZZVVJJWWWMACT-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.25
Rot. Bonds6

About 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea

1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea (PubChem CID 136534293) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
PubChem CID136534293
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
SMILESO=C(NCCN1CCCOCC1)Nc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C18H28N4O3/c23-18(19-8-10-22-9-3-12-24-13-11-22)21-15-6-7-17(20-14-15)25-16-4-1-2-5-16/h6-7,14,16H,1-5,8-13H2,(H2,19,21,23)
InChIKeyCZZVVJJWWWMACT-UHFFFAOYSA-N
XLogP2.25
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
CID 72887930
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187727
6-cyclopentyloxy-N-(2-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298955
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
4-[6-amino-5-[(E)-2-morpholin-4-ylethoxyiminomethyl]pyrimidin-4-yl]-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide
CID 58770319
1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
CID 119048905
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea
CID 136534294
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111049989
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
The IUPAC name of 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea (CID 136534293) is 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea.
What is the SMILES notation for 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
The canonical SMILES for 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea is O=C(NCCN1CCCOCC1)Nc1ccc(OC2CCCC2)nc1.
What is the InChIKey of 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
The InChIKey is CZZVVJJWWWMACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c23-18(19-8-10-22-9-3-12-24-13-11-22)21-15-6-7-17(20-14-15)25-16-4-1-2-5-16/h6-7,14,16H,1-5,8-13H2,(H2,19,21,23).
What are the key properties of 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea has a molecular weight of 348.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea is sourced from PubChem (CID 136534293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).