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

C17H20N6O2 — CID 134071566

IUPACN-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1CCC2C1OCCN2c1ncccn1)c1cnccn1
InChIInChI=1S/C17H20N6O2/c24-16(13-11-18-6-7-19-13)22-10-12-2-3-14-15(12)25-9-8-23(14)17-20-4-1-5-21-17/h1,4-7,11-12,14-15H,2-3,8-10H2,(H,22,24)
InChIKeyXNQCIOIAYBYOIA-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.68
Rot. Bonds4

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

N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide (PubChem CID 134071566) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide
PubChem CID134071566
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCC1CCC2C1OCCN2c1ncccn1)c1cnccn1
InChIInChI=1S/C17H20N6O2/c24-16(13-11-18-6-7-19-13)22-10-12-2-3-14-15(12)25-9-8-23(14)17-20-4-1-5-21-17/h1,4-7,11-12,14-15H,2-3,8-10H2,(H,22,24)
InChIKeyXNQCIOIAYBYOIA-UHFFFAOYSA-N
XLogP0.68
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-pyrimidin-2-yl-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-[[(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
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
[(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
(4aR,7S,7aS)-4-pyrimidin-2-yl-7-(pyrimidin-2-yloxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124789711
N-[[4-(5-methylpyrimidin-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl]methyl]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 155842460
(4aR,7S,7aS)-7-pyridin-3-yloxy-4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124909882
[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-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
[(4aS,7R,7aR)-7-[(pyrimidin-2-ylamino)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(thiadiazol-4-yl)methanone
CID 97403585
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
(4aR,7R,7aR)-7-(pyridin-3-ylmethoxy)-4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 133144872

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 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) is N-[(4-pyrimidin-2-yl-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-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide is O=C(NCC1CCC2C1OCCN2c1ncccn1)c1cnccn1.
What is the InChIKey of N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is XNQCIOIAYBYOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-16(13-11-18-6-7-19-13)22-10-12-2-3-14-15(12)25-9-8-23(14)17-20-4-1-5-21-17/h1,4-7,11-12,14-15H,2-3,8-10H2,(H,22,24).
What are the key properties of N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide?
N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrimidin-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-7-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 134071566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).