N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide

C15H22N4O3 — CID 124520953

IUPACN-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2CCO)c1cnccn1
InChIInChI=1S/C15H22N4O3/c20-7-5-19-6-8-22-14-11(1-2-13(14)19)9-18-15(21)12-10-16-3-4-17-12/h3-4,10-11,13-14,20H,1-2,5-9H2,(H,18,21)/t11-,13+,14+/m0/s1
InChIKeyLCMSIKARFLRFHR-IACUBPJLSA-N
MW306.37 g/mol
LogP-0.32
Rot. Bonds5

About N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide

N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide (PubChem CID 124520953) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide
PubChem CID124520953
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2CCO)c1cnccn1
InChIInChI=1S/C15H22N4O3/c20-7-5-19-6-8-22-14-11(1-2-13(14)19)9-18-15(21)12-10-16-3-4-17-12/h3-4,10-11,13-14,20H,1-2,5-9H2,(H,18,21)/t11-,13+,14+/m0/s1
InChIKeyLCMSIKARFLRFHR-IACUBPJLSA-N
XLogP-0.32
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[[4-(2-phenylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide
CID 155878231
N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide
CID 134071566
[(4aS,7S,7aR)-7-[(pyridin-3-ylamino)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 124520938
N-[[(4aR,7aR)-4-(furan-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyridazine-4-carboxamide
CID 133139594
[7-(prop-2-enoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 131644061
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
N-[[4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]furan-2-carboxamide
CID 131638971
N-[[(4aR,7S,7aR)-4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]furan-2-carboxamide
CID 124821290
N-[[(4aS,7S,7aR)-4-(1,3-thiazol-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]furan-2-carboxamide
CID 97378181
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
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N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
2-[(4aR,7S,7aR)-7-[(furan-2-carbonylamino)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]acetic acid
CID 124522304

Frequently Asked Questions

What is the IUPAC name of N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide (CID 124520953) is N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide is O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2CCO)c1cnccn1.
What is the InChIKey of N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is LCMSIKARFLRFHR-IACUBPJLSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-7-5-19-6-8-22-14-11(1-2-13(14)19)9-18-15(21)12-10-16-3-4-17-12/h3-4,10-11,13-14,20H,1-2,5-9H2,(H,18,21)/t11-,13+,14+/m0/s1.
What are the key properties of N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide?
N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aR,7S,7aR)-4-(2-hydroxyethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 124520953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).