(8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

C17H24N4O2 — CID 110201552

IUPAC(8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCc1cnc(C(=O)N2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cn1
InChIInChI=1S/C17H24N4O2/c1-12-10-20-14(11-19-12)17(23)21-9-4-2-3-8-18-16(22)13-6-5-7-15(13)21/h10-11,13,15H,2-9H2,1H3,(H,18,22)/t13-,15+/m1/s1
InChIKeyXGDGVTUSSASBSB-HIFRSBDPSA-N
MW316.40 g/mol
LogP1.70
Rot. Bonds1

About (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

(8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (PubChem CID 110201552) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.

Molecular Properties

Compound Name(8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
PubChem CID110201552
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCc1cnc(C(=O)N2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cn1
InChIInChI=1S/C17H24N4O2/c1-12-10-20-14(11-19-12)17(23)21-9-4-2-3-8-18-16(22)13-6-5-7-15(13)21/h10-11,13,15H,2-9H2,1H3,(H,18,22)/t13-,15+/m1/s1
InChIKeyXGDGVTUSSASBSB-HIFRSBDPSA-N
XLogP1.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one with MolForge

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Related Compounds

1-(5-methylpyrazine-2-carbonyl)-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612100
(1S,11R)-2-(6-methylpyridine-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199266
(8aR,11aS)-1-(quinoline-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201542
1-(cyclopent-3-ene-1-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 156611995
(8aR,12aS)-1-(2-methylpropanoyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 110201301
(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201211
(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199288
(8aR,11aS)-1-(furan-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201526
1-(3,5-dimethoxybenzoyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 171320447
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
(1S,11R)-2-(1-acetylpiperidine-4-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201208
N-[(4-methylphenyl)methyl]-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 156611612

Frequently Asked Questions

What is the IUPAC name of (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The IUPAC name of (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (CID 110201552) is (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.
What is the SMILES notation for (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The canonical SMILES for (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is Cc1cnc(C(=O)N2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cn1.
What is the InChIKey of (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The InChIKey is XGDGVTUSSASBSB-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-20-14(11-19-12)17(23)21-9-4-2-3-8-18-16(22)13-6-5-7-15(13)21/h10-11,13,15H,2-9H2,1H3,(H,18,22)/t13-,15+/m1/s1.
What are the key properties of (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
(8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one has a molecular weight of 316.40 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,11aS)-1-(5-methylpyrazine-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is sourced from PubChem (CID 110201552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).