1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea

C14H19N3O — CID 108911674

IUPAC1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(N/C=C/C1CCCC1)NCc1cccnc1
InChIInChI=1S/C14H19N3O/c18-14(16-9-7-12-4-1-2-5-12)17-11-13-6-3-8-15-10-13/h3,6-10,12H,1-2,4-5,11H2,(H2,16,17,18)/b9-7+
InChIKeyDUKFMMXCFONFGU-VQHVLOKHSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds4

About 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea

1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 108911674) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID108911674
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(N/C=C/C1CCCC1)NCc1cccnc1
InChIInChI=1S/C14H19N3O/c18-14(16-9-7-12-4-1-2-5-12)17-11-13-6-3-8-15-10-13/h3,6-10,12H,1-2,4-5,11H2,(H2,16,17,18)/b9-7+
InChIKeyDUKFMMXCFONFGU-VQHVLOKHSA-N
XLogP2.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-[(E)-3-methylbut-1-enyl]-3-(pyridin-3-ylmethyl)urea
CID 108910928
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea (CID 108911674) is 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea is O=C(N/C=C/C1CCCC1)NCc1cccnc1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is DUKFMMXCFONFGU-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(16-9-7-12-4-1-2-5-12)17-11-13-6-3-8-15-10-13/h3,6-10,12H,1-2,4-5,11H2,(H2,16,17,18)/b9-7+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea?
1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 245.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 108911674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).