N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide

C15H22N4O2 — CID 60612463

IUPACN-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNC(=O)C1CCCC1)NCc1cccnc1
InChIInChI=1S/C15H22N4O2/c20-14(13-5-1-2-6-13)17-8-9-18-15(21)19-11-12-4-3-7-16-10-12/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,17,20)(H2,18,19,21)
InChIKeyUZQMRLNYFUVFJJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide

N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide (PubChem CID 60612463) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
PubChem CID60612463
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNC(=O)C1CCCC1)NCc1cccnc1
InChIInChI=1S/C15H22N4O2/c20-14(13-5-1-2-6-13)17-8-9-18-15(21)19-11-12-4-3-7-16-10-12/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,17,20)(H2,18,19,21)
InChIKeyUZQMRLNYFUVFJJ-UHFFFAOYSA-N
XLogP1.19
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide
CID 51097080
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
1-[(E)-2-cyclopentylethenyl]-3-(pyridin-3-ylmethyl)urea
CID 108911674
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide (CID 60612463) is N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide is O=C(NCCNC(=O)C1CCCC1)NCc1cccnc1.
What is the InChIKey of N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide?
The InChIKey is UZQMRLNYFUVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(13-5-1-2-6-13)17-8-9-18-15(21)19-11-12-4-3-7-16-10-12/h3-4,7,10,13H,1-2,5-6,8-9,11H2,(H,17,20)(H2,18,19,21).
What are the key properties of N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide?
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 60612463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).