1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea

C19H27N3O3 — CID 124874996

IUPAC1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C19H27N3O3/c23-19(22-16-8-10-24-18(16)14-5-6-14)21-12-13-7-9-20-17(11-13)25-15-3-1-2-4-15/h7,9,11,14-16,18H,1-6,8,10,12H2,(H2,21,22,23)/t16-,18+/m1/s1
InChIKeyDSKZBRNKTPGEPA-AEFFLSMTSA-N
MW345.44 g/mol
LogP2.77
Rot. Bonds6

About 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea

1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea (PubChem CID 124874996) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea
PubChem CID124874996
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea
SMILESO=C(NCc1ccnc(OC2CCCC2)c1)N[C@@H]1CCO[C@H]1C1CC1
InChIInChI=1S/C19H27N3O3/c23-19(22-16-8-10-24-18(16)14-5-6-14)21-12-13-7-9-20-17(11-13)25-15-3-1-2-4-15/h7,9,11,14-16,18H,1-6,8,10,12H2,(H2,21,22,23)/t16-,18+/m1/s1
InChIKeyDSKZBRNKTPGEPA-AEFFLSMTSA-N
XLogP2.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea with MolForge

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Related Compounds

(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 129381997
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815599
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684140
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea?
The IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea (CID 124874996) is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea is O=C(NCc1ccnc(OC2CCCC2)c1)N[C@@H]1CCO[C@H]1C1CC1.
What is the InChIKey of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea?
The InChIKey is DSKZBRNKTPGEPA-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-19(22-16-8-10-24-18(16)14-5-6-14)21-12-13-7-9-20-17(11-13)25-15-3-1-2-4-15/h7,9,11,14-16,18H,1-6,8,10,12H2,(H2,21,22,23)/t16-,18+/m1/s1.
What are the key properties of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea?
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea has a molecular weight of 345.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea is sourced from PubChem (CID 124874996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).