N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide

C15H23N5O2 — CID 38029140

IUPACN-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCCNc1cnccn1
InChIInChI=1S/C15H23N5O2/c21-14(5-6-20-15(22)12-3-1-2-4-12)19-10-9-18-13-11-16-7-8-17-13/h7-8,11-12H,1-6,9-10H2,(H,17,18)(H,19,21)(H,20,22)
InChIKeyUAMIKOIWQFKTFG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.70
Rot. Bonds8

About N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide

N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide (PubChem CID 38029140) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide
PubChem CID38029140
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCCNc1cnccn1
InChIInChI=1S/C15H23N5O2/c21-14(5-6-20-15(22)12-3-1-2-4-12)19-10-9-18-13-11-16-7-8-17-13/h7-8,11-12H,1-6,9-10H2,(H,17,18)(H,19,21)(H,20,22)
InChIKeyUAMIKOIWQFKTFG-UHFFFAOYSA-N
XLogP0.70
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 94099324
2-(methylamino)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 119851728
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 98718371
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 51086989
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136586585
N-[4-oxo-4-(pyrazin-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 75523798
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide
CID 51092705

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide (CID 38029140) is N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide is O=C(CCNC(=O)C1CCCC1)NCCNc1cnccn1.
What is the InChIKey of N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide?
The InChIKey is UAMIKOIWQFKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-14(5-6-20-15(22)12-3-1-2-4-12)19-10-9-18-13-11-16-7-8-17-13/h7-8,11-12H,1-6,9-10H2,(H,17,18)(H,19,21)(H,20,22).
What are the key properties of N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide?
N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(pyrazin-2-ylamino)ethylamino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 38029140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).