N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide

C19H19N5O3 — CID 162810844

IUPACN-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]12)c1cnccn1
InChIInChI=1S/C19H19N5O3/c25-17(15-11-20-7-8-21-15)22-13-6-9-24-16(13)18(26)23-14(19(24)27)10-12-4-2-1-3-5-12/h1-5,7-8,11,13-14,16H,6,9-10H2,(H,22,25)(H,23,26)/t13-,14-,16-/m0/s1
InChIKeyVUNAKBJSNGWPML-DZKIICNBSA-N
MW365.39 g/mol
LogP-0.08
Rot. Bonds4

About N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide

N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide (PubChem CID 162810844) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide
PubChem CID162810844
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]12)c1cnccn1
InChIInChI=1S/C19H19N5O3/c25-17(15-11-20-7-8-21-15)22-13-6-9-24-16(13)18(26)23-14(19(24)27)10-12-4-2-1-3-5-12/h1-5,7-8,11,13-14,16H,6,9-10H2,(H,22,25)(H,23,26)/t13-,14-,16-/m0/s1
InChIKeyVUNAKBJSNGWPML-DZKIICNBSA-N
XLogP-0.08
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

3-[(3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)amino]-N-hydroxy-3-oxopropan-1-amine oxide
CID 163133591
N-[6,11-dioxo-2-(2-phenylethenyl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]pyrazine-2-carboxamide
CID 73148185
N-[(6aS,7S)-2-[2-(4-hydroxyphenyl)ethenyl]-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]pyrazine-2-carboxamide
CID 162807401
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)benzamide
CID 3691257
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
N-[(3R,3aR,7aR)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 124521539
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557384
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
(3S,6R,12R,15R,18R)-3,12-dibenzyl-15-methyl-1,4,10,13,16-pentazatricyclo[16.3.0.06,10]henicosane-2,5,11,14,17-pentone
CID 162933338
N-[(5S,7S,10S,17R,20R)-10-benzyl-20-methyl-17-(2-methylpropyl)-2,8,15,18-tetraoxo-12,22-dioxa-3,9,16,19,24,25-hexazatetracyclo[19.2.1.111,14.03,7]pentacosa-1(23),11(25),13,21(24)-tetraen-5-yl]pyrazine-2-carboxamide
CID 154564956

Frequently Asked Questions

What is the IUPAC name of N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide (CID 162810844) is N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]12)c1cnccn1.
What is the InChIKey of N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide?
The InChIKey is VUNAKBJSNGWPML-DZKIICNBSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-17(15-11-20-7-8-21-15)22-13-6-9-24-16(13)18(26)23-14(19(24)27)10-12-4-2-1-3-5-12/h1-5,7-8,11,13-14,16H,6,9-10H2,(H,22,25)(H,23,26)/t13-,14-,16-/m0/s1.
What are the key properties of N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide?
N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,8S,8aS)-3-benzyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162810844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).