(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide

C14H17ClN4O3 — CID 90283177

IUPAC(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide
SMILESO=C(NCc1nccnc1Cl)[C@H]1CC[C@H]2COCC(=O)N2C1
InChIInChI=1S/C14H17ClN4O3/c15-13-11(16-3-4-17-13)5-18-14(21)9-1-2-10-7-22-8-12(20)19(10)6-9/h3-4,9-10H,1-2,5-8H2,(H,18,21)/t9-,10-/m0/s1
InChIKeyGRWDSBHPGZSRGR-UWVGGRQHSA-N
MW324.77 g/mol
LogP0.38
Rot. Bonds3

About (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide

(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide (PubChem CID 90283177) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound Name(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide
PubChem CID90283177
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide
SMILESO=C(NCc1nccnc1Cl)[C@H]1CC[C@H]2COCC(=O)N2C1
InChIInChI=1S/C14H17ClN4O3/c15-13-11(16-3-4-17-13)5-18-14(21)9-1-2-10-7-22-8-12(20)19(10)6-9/h3-4,9-10H,1-2,5-8H2,(H,18,21)/t9-,10-/m0/s1
InChIKeyGRWDSBHPGZSRGR-UWVGGRQHSA-N
XLogP0.38
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide with MolForge

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Related Compounds

N-[(3-chloropyrazin-2-yl)methyl]-2,3,3-trimethyl-1-oxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidine-7-carboxamide
CID 121456295
(3-chloropyrazin-2-yl)methanamine;N-[(3-chloropyrazin-2-yl)methyl]cyclopropanecarboxamide
CID 157428189
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 168934298
cis-methyl (1R,3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylate
CID 121454905
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 45243115
tert-butyl (3S)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;sulfane
CID 161175121
(2S,5R)-2-benzyl-5-[(3-chloropyrazin-2-yl)methylcarbamoyl]-2-(hydroxymethyl)piperidine-1-carboxylic acid
CID 90283616
1-(oxan-4-yl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90567826
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
3-[(3-chloropyrazin-2-yl)methylcarbamoyl]-1-ethylbicyclo[3.1.0]hexane-6-carboxylic acid
CID 121455847
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632

Frequently Asked Questions

What is the IUPAC name of (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide?
The IUPAC name of (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide (CID 90283177) is (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide.
What is the SMILES notation for (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide?
The canonical SMILES for (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide is O=C(NCc1nccnc1Cl)[C@H]1CC[C@H]2COCC(=O)N2C1.
What is the InChIKey of (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide?
The InChIKey is GRWDSBHPGZSRGR-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c15-13-11(16-3-4-17-13)5-18-14(21)9-1-2-10-7-22-8-12(20)19(10)6-9/h3-4,9-10H,1-2,5-8H2,(H,18,21)/t9-,10-/m0/s1.
What are the key properties of (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide?
(7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aS)-N-[(3-chloropyrazin-2-yl)methyl]-4-oxo-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 90283177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).