N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide

C16H22N4O2 — CID 156601788

IUPACN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
SMILESCCN1C(=O)CCC2(CNC(=O)c3cnccn3)CCCC12
InChIInChI=1S/C16H22N4O2/c1-2-20-13-4-3-6-16(13,7-5-14(20)21)11-19-15(22)12-10-17-8-9-18-12/h8-10,13H,2-7,11H2,1H3,(H,19,22)
InChIKeyBVJUMIYYKYPTMT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.39
Rot. Bonds4

About N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide

N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide (PubChem CID 156601788) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
PubChem CID156601788
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide
SMILESCCN1C(=O)CCC2(CNC(=O)c3cnccn3)CCCC12
InChIInChI=1S/C16H22N4O2/c1-2-20-13-4-3-6-16(13,7-5-14(20)21)11-19-15(22)12-10-17-8-9-18-12/h8-10,13H,2-7,11H2,1H3,(H,19,22)
InChIKeyBVJUMIYYKYPTMT-UHFFFAOYSA-N
XLogP1.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 44430993
N-[(1R)-1-cyclohexyl-2-[[(1R)-1-[(2S)-2-[[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethyl]pyrazine-2-carboxamide
CID 3007875
N-[(1R)-1-cyclohexyl-2-[[(1R)-1-[(2S,3S)-2-[[(1S)-1-[2-(cyclopropylamino)-2-oxo-acetyl]butyl]carbamoyl]-3-ethyl-pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-2-oxo-ethyl]pyrazine-2-carboxamide
CID 3007867
(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233303
2-Pyrazoyl-Cha-Ile-NH2
CID 49788153
"N-[(1R,5S)-8-(3-cyclopentylpropanoyl)-8-azabicyclo[3.2.1]oct-3-yl]-5-methyl-2-pyrazinecarboxamide"
CID 91912223
9-(Pyrazine-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370790
N-(1-ethyl-2-oxo-1-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
CID 97494203
(1S,11R)-2-(5-methylpyrazine-2-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201215
1-Ethyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118739668
(1S,11R)-2-(pyrazine-2-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199261
Rel-(9AR,13AS)-1-(2-pyrazinylcarbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201203

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide (CID 156601788) is N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide is CCN1C(=O)CCC2(CNC(=O)c3cnccn3)CCCC12.
What is the InChIKey of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is BVJUMIYYKYPTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-20-13-4-3-6-16(13,7-5-14(20)21)11-19-15(22)12-10-17-8-9-18-12/h8-10,13H,2-7,11H2,1H3,(H,19,22).
What are the key properties of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide?
N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 156601788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).