1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea

C15H21N3O — CID 108914095

IUPAC1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea
SMILESC/C(=C\NC(=O)Nc1ncccc1C)C1CCCC1
InChIInChI=1S/C15H21N3O/c1-11-6-5-9-16-14(11)18-15(19)17-10-12(2)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,16,17,18,19)/b12-10+
InChIKeyVSOHHVGGVCNYQM-ZRDIBKRKSA-N
MW259.35 g/mol
LogP3.61
Rot. Bonds3

About 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea

1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea (PubChem CID 108914095) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea
PubChem CID108914095
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea
SMILESC/C(=C\NC(=O)Nc1ncccc1C)C1CCCC1
InChIInChI=1S/C15H21N3O/c1-11-6-5-9-16-14(11)18-15(19)17-10-12(2)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,16,17,18,19)/b12-10+
InChIKeyVSOHHVGGVCNYQM-ZRDIBKRKSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2,3-dimethylbut-1-enyl]-3-(3-methyl-2-pyridinyl)urea
CID 108914841
1-ethenyl-3-(3-methyl-2-pyridinyl)urea
CID 108909309
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,6-difluorophenyl)urea
CID 108913961
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
3-[[(E)-2-cyclopentylprop-1-enyl]carbamoylamino]benzoic acid
CID 108913800
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909508
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(3-methyl-2-pyridinyl)urea
CID 94199597
2-cyclopentyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 60620489

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea (CID 108914095) is 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea is C/C(=C\NC(=O)Nc1ncccc1C)C1CCCC1.
What is the InChIKey of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is VSOHHVGGVCNYQM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-6-5-9-16-14(11)18-15(19)17-10-12(2)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,16,17,18,19)/b12-10+.
What are the key properties of 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea?
1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 259.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylprop-1-enyl]-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108914095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).